UCSF

ZINC40776290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 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) 1.95 5.95 -18.22 1 8 0 80 409.442 3
Mid Mid (pH 6-8) 1.95 8.17 -62.72 2 8 1 82 410.45 3

Activity (Go SEA)

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