UCSF

ZINC05921672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 No

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) 2.48 5.93 -53.9 1 8 -1 124 367.337 6
Mid Mid (pH 6-8) 2.92 -1.96 -26.45 2 8 0 121 368.345 5
Mid Mid (pH 6-8) 1.89 -1.6 -17.31 1 8 0 118 368.345 6

Activity (Go SEA)

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