UCSF

ZINC40191973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 5.68 13.13 -12.67 1 4 0 47 438.358 7
Lo Low (pH 4.5-6) 5.68 14.44 -37.67 2 4 1 48 439.366 7

Activity (Go SEA)

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