UCSF

ZINC37339123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 4.75 10.6 -34.31 1 2 1 22 262.417 7
Hi High (pH 8-9.5) 4.75 8.97 -5.89 0 2 0 20 261.409 7

Activity (Go SEA)

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