UCSF

ZINC44914256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) 1.05 0.76 -6.53 0 5 0 51 225.292 3
Mid Mid (pH 6-8) 1.05 2.96 -37.53 1 5 1 53 226.3 3

Activity (Go SEA)

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