UCSF

ZINC70097190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 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) 1.31 4.93 -55.23 3 4 1 66 237.286 2
Mid Mid (pH 6-8) 1.31 4.63 -8.96 2 4 0 65 236.278 2
Lo Low (pH 4.5-6) 1.31 5.4 -117.93 4 4 2 68 238.294 2

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

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