UCSF

ZINC00537790

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 28 Yes

CAS Number: [52994-25-9]

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) 2.49 1.96 -64.4 2 8 -1 120 424.886 8
Lo Low (pH 4.5-6) 2.86 3.91 -22.5 3 8 0 114 425.894 7

Activity (Go SEA)

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