UCSF

ZINC37853567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.98 1 -9.79 2 4 0 51 235.283 7
Mid Mid (pH 6-8) 0.98 2.42 -47.81 3 4 1 55 236.291 7

Activity (Go SEA)

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