UCSF

ZINC41656269

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.00 7.74 -41.94 0 4 -1 66 283.694 2
Lo Low (pH 4.5-6) 3.00 8.19 -60.74 1 4 0 67 284.702 2

Activity (Go SEA)

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