UCSF

ZINC04169856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 22 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) 2.53 6.82 -21.3 1 4 0 67 313.378 3
Mid Mid (pH 6-8) 3.83 5.56 -46.73 0 4 -1 70 312.37 3

Activity (Go SEA)

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