UCSF

ZINC20469051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 14 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) 2.01 4.81 -29.2 1 3 1 22 216.736 3
Mid Mid (pH 6-8) 2.01 4.7 -5.71 0 3 0 21 215.728 3

Activity (Go SEA)

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