UCSF

ZINC49551911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 15 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) 0.84 6.11 -110.31 3 3 2 34 209.337 6
Hi High (pH 8-9.5) 0.84 3.65 -43.01 2 3 1 33 208.329 6
Hi High (pH 8-9.5) 0.84 4.92 -38.7 2 3 1 29 208.329 6

Activity (Go SEA)

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