UCSF

ZINC35738359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) -1.38 4.65 -100.83 5 4 2 65 249.358 3
Hi High (pH 8-9.5) -1.38 4.3 -44.21 4 4 1 63 248.35 3
Hi High (pH 8-9.5) -1.38 3.27 -39.55 4 4 1 60 248.35 3

Activity (Go SEA)

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