UCSF

ZINC44726674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) -0.08 3.26 -91.58 5 4 2 61 227.352 4
Hi High (pH 8-9.5) -0.08 2.95 -37.78 4 4 1 60 226.344 4
Hi High (pH 8-9.5) 0.10 0.99 -39.03 3 4 0 66 225.336 4
Hi High (pH 8-9.5) 0.10 1.43 -57.56 4 4 1 67 226.344 4

Activity (Go SEA)

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