UCSF

ZINC38352716

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2010 22 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) 3.08 3.02 -8.84 3 4 0 65 292.338 4
Lo Low (pH 4.5-6) 3.08 3.49 -39.26 4 4 1 67 293.346 4

Activity (Go SEA)

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