UCSF

ZINC16768164

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 32 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) -2.32 0.35 -57.71 8 12 0 212 454.48 16
Hi High (pH 8-9.5) -2.32 -0.8 -74.6 7 12 -1 208 453.472 16

Activity (Go SEA)

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