UCSF

ZINC12030961

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 22 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) 1.63 5.37 -38.78 2 6 1 63 304.37 4
Hi High (pH 8-9.5) 1.63 3.88 -12.4 1 6 0 62 303.362 4

Activity (Go SEA)

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