UCSF

ZINC12885582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 18 No

Download: MOL2 SDF SMILES Flexibase

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) -1.25 2.89 -15.82 3 9 0 114 252.234 3
Mid Mid (pH 6-8) -1.25 3.4 -45.83 4 9 1 115 253.242 3

Activity (Go SEA)

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