UCSF

ZINC01032938

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 25 Yes

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) 3.39 -1.02 -17.78 1 5 0 56 351.431 4
Mid Mid (pH 6-8) -0.34 -0.78 -35.64 2 5 1 58 352.439 4

Activity (Go SEA)

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