UCSF

ZINC42453398

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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 4.01 -6.17 1 3 0 36 198.241 5
Lo Low (pH 4.5-6) 1.72 4.34 -25.94 2 3 1 38 199.249 5

Activity (Go SEA)

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