UCSF

ZINC01470638

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 23 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) 5.78 11.1 -10.28 0 3 0 27 349.261 5
Lo Low (pH 4.5-6) 5.78 11.5 -32.47 1 3 1 28 350.269 5

Activity (Go SEA)

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