UCSF

ZINC40421009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 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) 1.46 3.98 -33.79 2 3 1 29 226.369 4
Lo Low (pH 4.5-6) 1.46 5.18 -100.21 3 3 2 34 227.377 4

Activity (Go SEA)

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