UCSF

ZINC42692807

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 14 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) 0.50 2.34 -45.05 3 3 1 44 195.286 5
Mid Mid (pH 6-8) 0.50 4.09 -29.96 3 3 1 44 195.286 5
Mid Mid (pH 6-8) 0.50 4.42 -111.37 4 3 2 45 196.294 5

Activity (Go SEA)

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