UCSF

ZINC42878963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 1.30 0.44 -45.5 3 4 1 55 182.199 2
Hi High (pH 8-9.5) 1.30 1.08 -35.42 2 4 0 58 181.191 2

Activity (Go SEA)

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