UCSF

ZINC38730745

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 3.75 11.05 -12.39 0 6 0 76 417.49 3
Lo Low (pH 4.5-6) 3.75 11.48 -32.18 1 6 1 78 418.498 3

Activity (Go SEA)

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