UCSF

ZINC21022592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 30 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) 3.80 9.78 -18.9 1 9 0 127 487.291 5
Hi High (pH 8-9.5) 3.99 8.71 -43.95 0 9 -1 133 486.283 5

Activity (Go SEA)

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