UCSF

ZINC41192090

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 2.42 6.51 -33.46 2 3 1 29 278.445 3
Lo Low (pH 4.5-6) 2.42 7.52 -104.72 3 3 2 34 279.453 3

Activity (Go SEA)

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