UCSF

ZINC40188897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.93 12.41 -8.9 1 4 0 47 377.532 8
Lo Low (pH 4.5-6) 5.93 13.1 -31.2 2 4 1 48 378.54 8

Activity (Go SEA)

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