UCSF

ZINC31935616

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) 2.75 5.22 -60.47 1 5 -1 78 270.293 3
Lo Low (pH 4.5-6) 2.75 5.78 -74.61 2 5 0 79 271.301 3

Activity (Go SEA)

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