UCSF

ZINC43893847

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 2.96 7.13 -41.24 2 3 1 33 290.475 5
Hi High (pH 8-9.5) 2.96 8.19 -40.95 2 3 1 29 290.475 5

Activity (Go SEA)

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