UCSF

ZINC21802650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.11 7.61 -67.86 0 5 -1 82 228.231 4
Mid Mid (pH 6-8) 1.11 8.06 -79.05 1 5 0 83 229.239 4

Activity (Go SEA)

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