UCSF

ZINC05274083

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 22 Yes

CAS Number: 24587-37-9

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) -0.86 5.32 -72.83 5 6 0 113 303.362 6
Hi High (pH 8-9.5) -0.86 4.94 -60.83 4 6 -1 111 302.354 6

Activity (Go SEA)

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