UCSF

ZINC36162294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.45 3.62 -42.94 3 3 1 54 231.319 2
Hi High (pH 8-9.5) 1.45 3.21 -6.31 2 3 0 52 230.311 2

Activity (Go SEA)

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