UCSF

ZINC60698859

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 19 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) 4.82 9.5 -42.48 2 1 1 17 302.797 5
Hi High (pH 8-9.5) 4.82 8.38 -3.78 1 1 0 12 301.789 5

Activity (Go SEA)

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