UCSF

ZINC21062930

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 4.24 4.79 -39.47 3 3 1 40 299.866 8
Hi High (pH 8-9.5) 4.24 5.57 -28.72 2 3 0 43 298.858 8
Mid Mid (pH 6-8) 4.24 5.59 -36.45 3 3 1 37 299.866 8

Activity (Go SEA)

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