UCSF

ZINC06623278

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 23 Yes

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) 1.74 -6.34 -13.54 2 7 0 93 332.337 3
Hi High (pH 8-9.5) 1.74 -5.77 -39.38 1 7 -1 95 331.329 3

Activity (Go SEA)

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