UCSF

ZINC08064053

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 27 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) 2.53 7.59 -12.55 1 6 0 68 365.433 4
Mid Mid (pH 6-8) 2.53 7.94 -28.96 2 6 1 69 366.441 4
Lo Low (pH 4.5-6) 2.53 7.94 -27.27 2 6 1 69 366.441 4

Activity (Go SEA)

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