UCSF

ZINC21538279

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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 15.95 -104.82 2 5 2 42 394.563 9
Hi High (pH 8-9.5) 4.25 13.48 -28.66 1 5 1 41 393.555 9
Hi High (pH 8-9.5) 4.25 12.56 -7.57 0 5 0 39 392.547 9

Activity (Go SEA)

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