UCSF

ZINC42187983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 0.47 1.25 -41.1 4 3 1 57 171.264 2
Hi High (pH 8-9.5) 0.47 0.94 -7.06 3 3 0 55 170.256 2

Activity (Go SEA)

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