UCSF

ZINC45703065

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 Yes

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) 0.85 4.27 -12.07 2 6 0 84 275.308 7
Mid Mid (pH 6-8) 0.85 5.63 -57.64 3 6 1 89 276.316 7
Mid Mid (pH 6-8) 1.31 3.06 -51.01 2 6 0 92 275.308 7

Activity (Go SEA)

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