UCSF

ZINC19837302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 1.68 2.85 -49.49 3 5 1 63 239.295 5
Hi High (pH 8-9.5) 1.68 3.87 -78.48 2 5 0 66 238.287 5
Hi High (pH 8-9.5) 1.68 1.33 -60.49 1 5 -1 65 237.279 5

Activity (Go SEA)

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