UCSF

ZINC44623070

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.56 8.19 -30.5 1 4 0 57 264.35 5
Hi High (pH 8-9.5) 0.56 5.91 -49.19 0 4 -1 56 263.342 5

Activity (Go SEA)

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