UCSF

ZINC58003578

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 18 No

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) 0.39 8.5 -21.5 0 7 0 84 252.274 5
Lo Low (pH 4.5-6) 0.39 8.93 -41.57 1 7 1 85 253.282 5

Activity (Go SEA)

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