UCSF

ZINC42205363

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) -0.01 0.64 -40.44 3 4 1 55 175.252 7
Hi High (pH 8-9.5) -0.01 -0.72 -7.72 2 4 0 50 174.244 7

Activity (Go SEA)

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