UCSF

ZINC30596719

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 18 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) 1.56 2.97 -10.88 1 6 0 76 278.374 5
Hi High (pH 8-9.5) 1.56 2.65 -39.8 0 6 -1 78 277.366 5
Mid Mid (pH 6-8) 1.56 2.64 -43.83 2 6 1 80 279.382 5

Activity (Go SEA)

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