UCSF

ZINC62706607

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2011 19 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) 3.88 7.74 -5.76 1 1 0 12 285.334 5
Mid Mid (pH 6-8) 3.88 8.87 -51.52 2 1 1 17 286.342 5

Activity (Go SEA)

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