UCSF

ZINC12417803

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 26 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) 4.61 9.02 -11.32 0 4 0 38 351.425 3
Ref Reference (pH 7) 4.61 9.29 -8.35 0 4 0 38 351.425 3
Mid Mid (pH 6-8) 4.61 11.32 -45.85 1 4 1 39 352.433 3

Activity (Go SEA)

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