UCSF

ZINC25992468

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 30 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) 4.38 12.85 -42.66 3 4 1 49 398.53 6
Hi High (pH 8-9.5) 4.38 10.59 -16.45 2 4 0 48 397.522 6

Activity (Go SEA)

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