UCSF

ZINC35465169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 22 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) 5.93 14.18 -92.8 0 4 -2 80 310.434 16
Lo Low (pH 4.5-6) 5.93 12.2 -48.37 1 4 -1 77 311.442 16

Activity (Go SEA)

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