UCSF

ZINC44259973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) -0.09 -1.12 -49.6 4 5 1 87 248.303 5
Hi High (pH 8-9.5) -0.09 -1.43 -31.01 3 5 0 89 247.295 5

Activity (Go SEA)

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