UCSF

ZINC39335652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 1.87 7 -10.26 0 2 0 37 174.247 5
Lo Low (pH 4.5-6) 1.87 7.47 -38.07 1 2 1 38 175.255 5

Activity (Go SEA)

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