UCSF

ZINC42490387

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.75 3.65 -87.8 3 5 2 45 254.378 3
Hi High (pH 8-9.5) -0.75 0.12 -7.93 1 5 0 39 252.362 3
Mid Mid (pH 6-8) -0.75 2.36 -34.77 2 5 1 40 253.37 3

Activity (Go SEA)

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