UCSF

ZINC44897022

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 0.48 2.64 -43.57 2 6 1 72 241.315 6
Hi High (pH 8-9.5) 0.48 0.57 -13.15 1 6 0 71 240.307 6

Activity (Go SEA)

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