UCSF

ZINC00959260

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2004 26 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) 4.20 9.9 -17.3 2 4 0 58 364.832 5
Lo Low (pH 4.5-6) 4.33 5.78 -33.66 3 4 1 67 365.84 5
Lo Low (pH 4.5-6) 4.33 5.89 -29.57 3 4 1 67 365.84 5

Activity (Go SEA)

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