UCSF

ZINC04385688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 26 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) 3.15 9.65 -18.05 1 5 0 56 351.45 9
Mid Mid (pH 6-8) 3.15 9.94 -39.07 2 5 1 57 352.458 9

Activity (Go SEA)

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