UCSF

ZINC45703729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 0.23 -0.41 -36.9 3 5 1 57 232.348 9
Mid Mid (pH 6-8) 0.23 0.02 -35.15 3 5 1 57 232.348 9
Lo Low (pH 4.5-6) 0.23 2.05 -101.61 4 5 2 58 233.356 9

Activity (Go SEA)

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