UCSF

ZINC38002951

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 5.41 8.97 -41.56 2 2 1 26 377.274 6
Hi High (pH 8-9.5) 5.41 7.99 -5.49 1 2 0 21 376.266 6

Activity (Go SEA)

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