UCSF

ZINC44648832

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 1.01 1.97 -55.06 4 6 1 92 250.278 5
Hi High (pH 8-9.5) 1.47 -2.01 -48.72 2 6 -1 90 248.262 5
Mid Mid (pH 6-8) 1.47 -0.67 -78.62 3 6 0 95 249.27 5

Activity (Go SEA)

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