UCSF

ZINC18082835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 21 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) 5.88 11.05 -5.82 0 2 0 22 281.399 7
Lo Low (pH 4.5-6) 5.88 10.67 -34.26 1 2 1 23 282.407 7
Lo Low (pH 4.5-6) 5.88 11.4 -32.09 1 2 1 23 282.407 7

Activity (Go SEA)

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