UCSF

ZINC23655580

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 18 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) 3.28 6.52 -13.06 1 4 0 55 301.824 4
Mid Mid (pH 6-8) 3.35 5.43 -42.13 0 4 -1 61 300.816 4

Activity (Go SEA)

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