UCSF

ZINC37122842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 3.60 10.33 -97.17 3 2 2 21 296.524 5
Mid Mid (pH 6-8) 3.60 8.11 -36.45 2 2 1 20 295.516 5
Mid Mid (pH 6-8) 3.60 10.06 -33.72 2 2 1 16 295.516 5

Activity (Go SEA)

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