UCSF

ZINC47496567

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2010 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) 0.64 2.21 -36.19 3 4 1 54 217.333 8
Hi High (pH 8-9.5) 0.64 0.02 -7.8 2 4 0 53 216.325 8

Activity (Go SEA)

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