UCSF

ZINC34627242

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) -0.46 2.5 -34.72 3 6 1 70 265.337 4
Mid Mid (pH 6-8) -0.46 0.14 -12.03 2 6 0 69 264.329 4

Activity (Go SEA)

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