UCSF

ZINC39972113

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 3.25 8.64 -41.23 2 5 1 50 359.519 6
Mid Mid (pH 6-8) 3.25 8.86 -46.28 2 5 1 50 359.519 6
Mid Mid (pH 6-8) 3.07 8.02 -34.17 1 5 0 56 358.511 6
Mid Mid (pH 6-8) 3.25 6.67 -10.1 1 5 0 48 358.511 6

Activity (Go SEA)

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