UCSF

ZINC49403087

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) -0.04 4.42 -52.19 3 5 1 68 274.344 3
Mid Mid (pH 6-8) -0.04 2.23 -18.18 2 5 0 67 273.336 3

Activity (Go SEA)

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