UCSF

ZINC40191848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 38 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) 6.28 16.09 -13.71 1 6 0 65 511.666 13
Mid Mid (pH 6-8) 6.28 16.55 -37.5 2 6 1 67 512.674 13

Activity (Go SEA)

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