UCSF

ZINC04381973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 2.62 7.3 -14.47 1 4 0 51 347.39 6
Mid Mid (pH 6-8) 2.62 7.76 -31.5 2 4 1 52 348.398 6
Lo Low (pH 4.5-6) 2.62 7.58 -44.9 2 4 1 52 348.398 6
Lo Low (pH 4.5-6) 2.62 8.04 -83.12 3 4 2 53 349.406 6

Activity (Go SEA)

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