UCSF

ZINC43424470

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.84 4.33 -3.93 2 3 0 38 218.3 1
Lo Low (pH 4.5-6) 1.84 4.52 -29.55 3 3 1 40 219.308 1

Activity (Go SEA)

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