UCSF

ZINC20943985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 33 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) 1.81 10.06 -62.38 2 8 1 75 474.029 9
Mid Mid (pH 6-8) 1.81 7.7 -20.87 1 8 0 74 473.021 9

Activity (Go SEA)

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