UCSF

ZINC44693848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.12 6.21 -44.57 2 3 1 35 293.214 8
Hi High (pH 8-9.5) 3.12 5.06 -6.22 1 3 0 30 292.206 8

Activity (Go SEA)

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