UCSF

ZINC04978025

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 21 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) 1.18 0.44 -14.31 3 6 0 99 287.319 5
Hi High (pH 8-9.5) 1.32 0.11 -58.02 2 6 -1 101 286.311 5
Hi High (pH 8-9.5) 1.63 -1.93 -50.23 2 6 -1 102 286.311 5

Activity (Go SEA)

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