UCSF

ZINC37052182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) -1.46 1.24 -8.45 2 5 0 59 261.325 3
Mid Mid (pH 6-8) -1.46 1.55 -46.23 3 5 1 60 262.333 3
Mid Mid (pH 6-8) -1.46 3.52 -40.52 3 5 1 60 262.333 3
Lo Low (pH 4.5-6) -1.46 3.82 -96.9 4 5 2 62 263.341 3

Activity (Go SEA)

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