UCSF

ZINC19840465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.27 3.61 -13.8 2 4 0 59 277.707 3
Mid Mid (pH 6-8) 3.27 4.27 -44.35 1 4 -1 61 276.699 3

Activity (Go SEA)

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