UCSF

ZINC60781120

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2011 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) 0.11 4.7 -46.83 3 7 1 87 301.326 5
Mid Mid (pH 6-8) 0.11 4.19 -17.6 2 7 0 85 300.318 5

Activity (Go SEA)

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