UCSF

ZINC20076282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.65 6.77 -43.1 3 2 1 37 228.315 3
Hi High (pH 8-9.5) 3.65 6.38 -4.42 2 2 0 35 227.307 3

Activity (Go SEA)

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