UCSF

ZINC36968223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 4.96 7.87 -42.7 3 2 1 37 308.804 5
Hi High (pH 8-9.5) 4.96 6.7 -4.42 2 2 0 32 307.796 5
Hi High (pH 8-9.5) 4.96 8.46 -31.22 2 2 0 40 307.796 5

Activity (Go SEA)

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