UCSF

ZINC24716057

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 27 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) 1.33 8.33 -16.73 1 9 0 104 382.405 5
Hi High (pH 8-9.5) 1.40 7.41 -39.47 0 9 -1 110 381.397 5

Activity (Go SEA)

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