UCSF

ZINC34683327

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 5.40 12.41 -38.41 2 4 1 45 419.52 5
Hi High (pH 8-9.5) 5.40 13.16 -31.03 1 4 0 48 418.512 5

Activity (Go SEA)

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