UCSF

ZINC25078644

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 3.10 8.9 -14.97 1 7 0 89 416.557 6
Hi High (pH 8-9.5) 3.56 7.8 -45.23 0 7 -1 92 415.549 6

Activity (Go SEA)

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