UCSF

ZINC31933136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 5.12 13.13 -42.9 1 3 1 22 322.476 4
Mid Mid (pH 6-8) 5.12 13.57 -90.52 2 3 2 23 323.484 4
Mid Mid (pH 6-8) 5.12 10.58 -9.53 0 3 0 21 321.468 4

Activity (Go SEA)

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