UCSF

ZINC13984335

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 1.70 3.36 -17.62 1 9 0 90 457.527 9
Lo Low (pH 4.5-6) 1.70 5.58 -57.18 2 9 1 91 458.535 9

Activity (Go SEA)

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