UCSF

ZINC44132439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 0.15 -0.51 -3.57 1 3 0 33 173.256 3
Mid Mid (pH 6-8) 0.15 1.67 -31.44 2 3 1 34 174.264 3

Activity (Go SEA)

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