UCSF

ZINC42410180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 No

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) 0.27 2.8 -40.28 3 6 1 79 252.294 5
Hi High (pH 8-9.5) 0.27 1.44 -9.01 2 6 0 75 251.286 5

Activity (Go SEA)

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