UCSF

ZINC22058751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 2.51 10.76 -37.36 1 5 1 57 308.398 11
Mid Mid (pH 6-8) 2.51 8.84 -7.37 0 5 0 56 307.39 11

Activity (Go SEA)

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