UCSF

ZINC19435933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.35 4.61 -48.24 4 3 1 57 245.277 3
Mid Mid (pH 6-8) 0.35 4.3 -9.42 3 3 0 55 244.269 3

Activity (Go SEA)

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