UCSF

ZINC20560835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 14 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) 0.57 -2.97 -14.59 4 5 0 92 216.262 3
Hi High (pH 8-9.5) 0.57 -2.52 -44.71 3 5 -1 95 215.254 3

Activity (Go SEA)

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