UCSF

ZINC37050238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.54 1.88 -88.44 5 4 2 62 226.32 6
Hi High (pH 8-9.5) 0.54 -0.63 -46.3 4 4 1 60 225.312 6

Activity (Go SEA)

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