UCSF

ZINC35386370

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 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) 0.32 3.5 -49.98 3 5 0 86 216.281 7
Hi High (pH 8-9.5) 0.32 2.43 -46.85 2 5 -1 81 215.273 7

Activity (Go SEA)

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