UCSF

ZINC37852025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 3.16 6.04 -43.68 3 3 1 46 292.786 7
Hi High (pH 8-9.5) 3.16 4.65 -7.48 2 3 0 41 291.778 7

Activity (Go SEA)

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