UCSF

ZINC42793078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) -1.20 5.97 -111.75 1 8 -2 122 288.3 9
Lo Low (pH 4.5-6) -1.20 3.93 -56.97 2 8 -1 119 289.308 9

Activity (Go SEA)

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