UCSF

ZINC39859781

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.86 11.71 -45.73 1 4 1 47 337.443 6
Mid Mid (pH 6-8) 3.86 9.78 -9.03 0 4 0 45 336.435 6

Activity (Go SEA)

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