UCSF

ZINC37044003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

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) 0.27 0.85 -48.65 5 6 1 98 296.372 6
Mid Mid (pH 6-8) 0.27 -0.35 -15.26 4 6 0 93 295.364 6

Activity (Go SEA)

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