UCSF

ZINC30691445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 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 -15.71 2 8 0 101 302.29 4
Hi High (pH 8-9.5) -0.38 -2.95 -54.15 1 8 -1 108 301.282 4
Lo Low (pH 4.5-6) -0.56 -0.63 -52.2 3 8 1 103 303.298 4
Lo Low (pH 4.5-6) -0.56 0.16 -105.66 4 8 2 105 304.306 4

Activity (Go SEA)

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