UCSF

ZINC41665080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.33 5.36 -20.85 2 7 0 99 262.269 3
Lo Low (pH 4.5-6) 1.33 5.18 -53.6 3 7 1 100 263.277 3

Activity (Go SEA)

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