UCSF

ZINC34595306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 0.71 5.21 -48.99 3 5 1 74 281.357 4
Mid Mid (pH 6-8) 0.71 4.87 -14.13 2 5 0 73 280.349 4

Activity (Go SEA)

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