UCSF

ZINC42277176

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) 0.00 -0.41 -39.96 4 4 1 69 175.252 6
Mid Mid (pH 6-8) 0.00 -1.64 -6.43 3 4 0 64 174.244 6

Activity (Go SEA)

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