UCSF

ZINC28530696

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 33 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) 3.88 6.62 -15.61 2 8 0 89 450.539 9
Mid Mid (pH 6-8) 3.88 8.95 -50.99 3 8 1 90 451.547 9

Activity (Go SEA)

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