UCSF

ZINC23230491

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 30 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) -2.51 6.23 -30.54 3 9 1 106 411.486 6
Mid Mid (pH 6-8) -2.51 8.57 -83.27 4 9 2 107 412.494 6

Activity (Go SEA)

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