UCSF

ZINC37812964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -1.39 0.19 -48.92 4 7 1 103 246.287 7
Hi High (pH 8-9.5) -1.39 -0.21 -11.86 3 7 0 102 245.279 7

Activity (Go SEA)

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