UCSF

ZINC37999705

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) -1.28 0.01 -76.34 3 6 1 104 260.339 6
Hi High (pH 8-9.5) -1.28 -1.3 -26.12 2 6 0 99 259.331 6

Activity (Go SEA)

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