UCSF

ZINC19361106

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 29 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) 4.88 9.83 -50.32 3 3 1 34 384.547 6
Mid Mid (pH 6-8) 4.88 11.78 -135.25 4 3 2 35 385.555 6

Activity (Go SEA)

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