UCSF

ZINC41513480

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 Yes

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) 4.04 8.06 -35.77 2 5 1 60 339.415 5
Mid Mid (pH 6-8) 4.04 8.82 -24.3 1 5 0 63 338.407 5

Activity (Go SEA)

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