UCSF

ZINC34958643

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) -0.21 3.4 -46.73 2 5 1 53 235.311 3
Hi High (pH 8-9.5) -0.21 2.03 -13.97 1 5 0 48 234.303 3
Mid Mid (pH 6-8) -0.21 3.09 -81.91 3 5 2 54 236.319 3

Activity (Go SEA)

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