UCSF

ZINC67433628

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 22 Yes

Popular Name: (2R)-1-(2-ethylimidazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)propan-2-amine (2R)-1-(2-ethylimidazol-1-yl)-N-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 8.13 -44.02 3 5 1 63 302.446 6 ↓
Hi High (pH 8-9.5) 2.47 7.7 -11.86 2 5 0 59 301.438 6 ↓
Mid Mid (pH 6-8) 2.47 8.59 -109.23 4 5 2 64 303.454 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.