UCSF

ZINC20119511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 29 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) 1.28 8.67 -85.07 3 8 2 84 403.527 5
Hi High (pH 8-9.5) 1.28 6.29 -49.36 2 8 1 83 402.519 5

Activity (Go SEA)

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