UCSF

ZINC31979604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.16 2.19 -51.59 1 6 -1 103 270.286 5
Lo Low (pH 4.5-6) 0.16 1.07 -16.15 2 6 0 101 271.294 5

Activity (Go SEA)

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