UCSF

ZINC34528339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) 0.13 4.74 -43.66 1 4 1 28 172.252 0
Hi High (pH 8-9.5) 0.13 2.35 -7.81 0 4 0 27 171.244 0

Activity (Go SEA)

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