UCSF

ZINC44243778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.69 3.59 -40.46 2 5 1 63 349.274 5
Hi High (pH 8-9.5) 1.69 3.16 -27.55 1 5 0 66 348.266 5

Activity (Go SEA)

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