UCSF

ZINC41584431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.00 11.92 -44.62 2 7 1 101 411.478 8
Mid Mid (pH 6-8) 5.00 12.51 -27.95 1 7 0 104 410.47 8

Activity (Go SEA)

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