UCSF

ZINC05622380

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 19 No

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) 0.51 3.01 -19.01 0 5 0 67 300.405 4
Lo Low (pH 4.5-6) 0.51 3.29 -52.05 1 5 1 69 301.413 4

Activity (Go SEA)

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