UCSF

ZINC48810748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 24 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) 3.17 9.15 -40.3 2 4 1 43 327.448 7
Mid Mid (pH 6-8) 3.17 6.92 -9.04 1 4 0 42 326.44 7

Activity (Go SEA)

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