UCSF

ZINC40417210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 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) 5.07 10.34 -7.6 0 2 0 18 270.763 2
Lo Low (pH 4.5-6) 5.07 10.85 -24.51 1 2 1 19 271.771 2

Activity (Go SEA)

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