UCSF

ZINC48332361

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 28 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) 2.71 8.44 -17.58 1 7 0 88 396.472 4
Hi High (pH 8-9.5) 2.89 6.88 -56.62 0 7 -1 95 395.464 4

Activity (Go SEA)

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