UCSF

ZINC41146988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 24 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) 4.25 12.05 -31.89 2 6 1 69 323.376 5
Hi High (pH 8-9.5) 4.25 11.59 -10.62 1 6 0 67 322.368 5

Activity (Go SEA)

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