UCSF

ZINC14162400

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 24 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) 2.86 7.66 -44.84 2 5 1 50 349.817 3
Mid Mid (pH 6-8) 2.86 5.19 -12.44 1 5 0 48 348.809 3

Activity (Go SEA)

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