UCSF

ZINC22153230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.42 2.61 -13.36 3 5 0 68 277.368 4
Mid Mid (pH 6-8) 1.42 4.61 -48.83 4 5 1 69 278.376 4

Activity (Go SEA)

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