UCSF

ZINC34466902

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 1.88 6.88 -42.23 2 6 1 63 358.491 3
Mid Mid (pH 6-8) 1.88 6.56 -16.13 1 6 0 61 357.483 3
Lo Low (pH 4.5-6) 1.88 9.26 -111.9 3 6 2 64 359.499 3
Lo Low (pH 4.5-6) 1.88 8.94 -55.47 2 6 1 63 358.491 3

Activity (Go SEA)

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