UCSF

ZINC01048290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 24 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) 3.35 4.68 -9.47 1 4 0 59 370.274 5
Hi High (pH 8-9.5) 3.35 4.76 -33.83 0 4 -1 61 369.266 5
Lo Low (pH 4.5-6) 3.35 4.96 -41.14 2 4 1 60 371.282 5

Activity (Go SEA)

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