UCSF

ZINC43799335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 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) -2.15 4.11 -67.44 2 6 1 94 237.283 5
Hi High (pH 8-9.5) -2.15 2.75 -19.61 1 6 0 89 236.275 5

Activity (Go SEA)

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