UCSF

ZINC44672051

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 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) 1.98 3.22 -8.08 1 3 0 46 163.176 0
Hi High (pH 8-9.5) 2.44 0.59 -49.19 0 3 -1 49 162.168 0

Activity (Go SEA)

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