UCSF

ZINC19821487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) -1.03 3.7 -36.96 3 4 1 49 223.296 3
Mid Mid (pH 6-8) -1.03 1.95 -45.97 3 4 1 49 223.296 3

Activity (Go SEA)

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