UCSF

ZINC06920350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 21 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) 1.71 1.68 -62.03 2 5 -1 91 311.289 4
Mid Mid (pH 6-8) 1.71 1.68 -19.8 3 5 0 89 312.297 4

Activity (Go SEA)

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