UCSF

ZINC31946046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.42 1.36 -11.88 1 4 0 44 270.279 3
Lo Low (pH 4.5-6) 0.42 3.72 -50.19 2 4 1 45 271.287 3

Activity (Go SEA)

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