UCSF

ZINC05098970

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 29 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) 3.56 8.2 -43.45 2 6 1 63 418.583 9
Hi High (pH 8-9.5) 3.56 6.12 -9.42 1 6 0 62 417.575 9

Activity (Go SEA)

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