UCSF

ZINC20131317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 15 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) 4.06 8.81 -36.67 2 1 1 17 287.246 5
Hi High (pH 8-9.5) 4.06 7.6 -1.84 1 1 0 12 286.238 5

Activity (Go SEA)

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