UCSF

ZINC12503190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 30 No

Other Names:

MFCD08141807

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) 4.89 13.38 -100.96 0 6 -2 98 422.506 10
Mid Mid (pH 6-8) 4.89 13.81 -81.38 1 6 -1 99 423.514 10

Activity (Go SEA)

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