UCSF

ZINC37099720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.37 5.74 -5.78 2 3 0 41 298.308 3
Mid Mid (pH 6-8) 3.37 6.4 -31.52 3 3 1 46 299.316 3

Activity (Go SEA)

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