UCSF

ZINC03830459

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 37 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) 0.58 6.74 -22.05 3 14 0 181 557.607 13
Lo Low (pH 4.5-6) 0.58 -2.87 -39.95 4 14 1 182 558.615 13

Activity (Go SEA)

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