UCSF

ZINC06131845

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 25 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) 6.35 10.99 -27.88 1 3 1 40 347.825 2
Mid Mid (pH 6-8) 6.35 11.48 -94.26 2 3 2 41 348.833 2
Lo Low (pH 4.5-6) 6.35 11.62 -29.09 1 3 1 40 347.825 2

Activity (Go SEA)

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