UCSF

ZINC05250708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 26 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) 2.84 -6.1 -17.82 1 6 0 83 402.444 4
Hi High (pH 8-9.5) 2.84 -5.52 -51.29 0 6 -1 85 401.436 4

Activity (Go SEA)

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