UCSF

ZINC40139485

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 2.80 5.69 -8.24 1 5 0 45 337.489 4
Mid Mid (pH 6-8) 2.80 7.7 -43.72 2 5 1 46 338.497 4

Activity (Go SEA)

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