UCSF

ZINC45684900

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.33 1.22 -46.41 3 4 1 49 229.344 1
Hi High (pH 8-9.5) 0.33 0.71 -2.99 2 4 0 48 228.336 1
Lo Low (pH 4.5-6) 0.33 2.71 -120.03 4 4 2 51 230.352 1

Activity (Go SEA)

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