UCSF

ZINC39375001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 1.72 4.02 -50.8 1 4 -1 64 180.183 2
Lo Low (pH 4.5-6) 1.72 4.42 -60.62 2 4 0 65 181.191 2

Activity (Go SEA)

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