UCSF

ZINC20129168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.25 8.62 -107.71 3 2 2 21 224.392 6
Mid Mid (pH 6-8) 2.25 6.09 -42.12 2 2 1 20 223.384 6

Activity (Go SEA)

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