UCSF

ZINC36881713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 No

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) 1.28 0.14 -21.54 2 6 0 92 326.827 7
Hi High (pH 8-9.5) 1.28 0.2 -47.23 1 6 -1 94 325.819 7
Hi High (pH 8-9.5) 1.28 0.38 -105.64 0 6 -2 96 324.811 7
Mid Mid (pH 6-8) 1.28 0.21 -42.53 1 6 -1 94 325.819 7

Activity (Go SEA)

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