UCSF

ZINC19900134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 3.35 6.98 -29.93 1 2 1 8 225.4 3
Hi High (pH 8-9.5) 3.35 4.98 -0.45 0 2 0 6 224.392 3
Hi High (pH 8-9.5) 3.35 7.27 -32.11 1 2 1 8 225.4 3

Activity (Go SEA)

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