UCSF

ZINC22455320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 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) 2.58 6.78 -37.22 1 3 1 17 251.394 6
Mid Mid (pH 6-8) 2.58 7.17 -38.43 1 3 1 17 251.394 6

Activity (Go SEA)

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