UCSF

ZINC05177757

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 25 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) 2.84 6.89 -14.4 1 8 0 118 334.291 3
Lo Low (pH 4.5-6) 3.28 7.78 -118.4 3 8 2 120 336.307 2

Activity (Go SEA)

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