UCSF

ZINC01646491

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 27 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) 4.08 4.94 -45.47 1 6 -1 94 421.907 6
Hi High (pH 8-9.5) 4.08 5.01 -122.89 0 6 -2 96 420.899 6
Lo Low (pH 4.5-6) 4.08 4.94 -43.3 1 6 -1 94 421.907 6

Activity (Go SEA)

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