UCSF

ZINC37175068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) -0.49 1.96 -44.95 3 3 1 48 189.304 2
Hi High (pH 8-9.5) -0.49 1.62 -7.9 2 3 0 46 188.296 2

Activity (Go SEA)

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