UCSF

ZINC34665455

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 4.01 9.25 -47.77 2 3 1 50 285.342 5
Hi High (pH 8-9.5) 4.01 8.15 -7.94 1 3 0 45 284.334 5

Activity (Go SEA)

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