UCSF

ZINC20315930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 1.17 5.11 -89.3 4 5 2 59 289.464 12
Hi High (pH 8-9.5) 1.17 3.92 -31.11 3 5 1 55 288.456 12

Activity (Go SEA)

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