UCSF

ZINC00584107

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 No

Download: MOL2 SDF SMILES Flexibase

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) 4.52 -2.78 -15.92 2 3 0 36 370.703 6
Lo Low (pH 4.5-6) 4.52 -2.72 -33.8 3 3 1 38 371.711 6

Activity (Go SEA)

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