UCSF

ZINC36626345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 0.79 0.29 -18.68 1 8 0 107 343.386 5
Mid Mid (pH 6-8) 0.86 -1.36 -46.63 0 8 -1 114 342.378 5

Activity (Go SEA)

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