UCSF

ZINC43966452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 1.53 3.48 -34.41 2 5 1 48 299.435 4
Hi High (pH 8-9.5) 1.53 2.28 -3.88 1 5 0 43 298.427 4
Hi High (pH 8-9.5) 1.53 4.25 -33.41 2 5 1 44 299.435 4

Activity (Go SEA)

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