UCSF

ZINC12538935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 No

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) 3.20 8.91 -13.2 2 4 0 58 339.464 7
Lo Low (pH 4.5-6) 3.20 9.26 -36.37 3 4 1 59 340.472 7
Lo Low (pH 4.5-6) 3.38 6.88 -27.71 3 4 1 63 340.472 7

Activity (Go SEA)

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