UCSF

ZINC24811604

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 34 No

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) 2.37 11.61 -57.89 1 10 1 103 480.471 6
Hi High (pH 8-9.5) 2.37 9.39 -15.76 0 10 0 102 479.463 6

Activity (Go SEA)

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