UCSF

ZINC37140487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 0.64 -0.51 -112.79 7 6 2 105 295.383 5
Hi High (pH 8-9.5) 0.64 -1.71 -40.8 6 6 1 100 294.375 5
Hi High (pH 8-9.5) 0.64 -2.7 -44.97 6 6 1 103 294.375 5

Activity (Go SEA)

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