UCSF

ZINC65507516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 19 Yes

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) 1.27 6.18 -33.17 3 5 1 59 254.317 1
Hi High (pH 8-9.5) 1.27 5.71 -13.87 2 5 0 58 253.309 1
Mid Mid (pH 6-8) 1.27 7 -39.57 3 5 1 63 254.317 1

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

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