UCSF

ZINC00000747

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

CAS Numbers: 25683-71-0 , [25683-71-0]

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) -0.56 -1.41 -15.29 2 8 0 101 302.29 4
Hi High (pH 8-9.5) -0.38 -2.95 -53.36 1 8 -1 108 301.282 4
Hi High (pH 8-9.5) -0.38 -2.94 -52.93 1 8 -1 108 301.282 4
Lo Low (pH 4.5-6) -0.56 -0.65 -52.98 3 8 1 103 303.298 4
Lo Low (pH 4.5-6) -0.56 -0.65 -52.72 3 8 1 103 303.298 4
Lo Low (pH 4.5-6) -0.56 0.16 -105.29 4 8 2 105 304.306 4

Activity (Go SEA)

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