UCSF

ZINC13992967

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 21 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) 2.15 8.82 -41.38 1 4 1 40 289.399 9
Lo Low (pH 4.5-6) 2.15 9.1 -99.56 2 4 2 41 290.407 9

Activity (Go SEA)

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