UCSF

ZINC37007601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.03 7.63 -37.77 2 4 1 43 344.273 7
Hi High (pH 8-9.5) 3.03 5.17 -11.4 1 4 0 42 343.265 7

Activity (Go SEA)

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