UCSF

ZINC13603878

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 23 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) 1.26 1.54 -57.4 3 6 1 89 332.405 5
Hi High (pH 8-9.5) 1.26 1.11 -14.4 2 6 0 88 331.397 5

Activity (Go SEA)

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