UCSF

ZINC39908300

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 7.33 16.22 -11.22 0 3 0 27 416.952 8
Mid Mid (pH 6-8) 7.33 16.63 -34.35 1 3 1 28 417.96 8

Activity (Go SEA)

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