UCSF

ZINC34595362

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 2.20 7.82 -6.85 0 4 0 41 379.298 3
Mid Mid (pH 6-8) 2.20 10.35 -58.89 1 4 0 42 380.306 3

Activity (Go SEA)

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