UCSF

ZINC37031913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 2.18 4.28 -37.9 3 5 1 72 255.338 4
Hi High (pH 8-9.5) 2.37 2.08 -34.11 2 5 0 78 254.33 4
Hi High (pH 8-9.5) 2.18 3.03 -7.66 2 5 0 67 254.33 4

Activity (Go SEA)

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