UCSF

ZINC12566439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 36 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) 4.99 16.1 -15.4 0 8 0 80 482.54 9
Mid Mid (pH 6-8) 4.99 16.61 -55.31 1 8 1 82 483.548 9

Activity (Go SEA)

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