UCSF

ZINC41683763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) -0.98 7.98 -114.54 2 8 -1 117 302.351 10
Lo Low (pH 4.5-6) -0.98 6 -68.95 3 8 0 114 303.359 10

Activity (Go SEA)

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