UCSF

ZINC19359056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 25 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) 4.32 10.34 -39.41 1 3 1 17 335.471 1
Hi High (pH 8-9.5) 4.32 8.46 -4.45 0 3 0 16 334.463 1

Activity (Go SEA)

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