UCSF

ZINC20437141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 24 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) 4.35 12.04 -42.37 1 2 1 8 359.584 8
Mid Mid (pH 6-8) 4.35 9.77 -4.82 0 2 0 6 358.576 8

Activity (Go SEA)

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