UCSF

ZINC44672480

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 26 No

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) -0.85 0.6 -85.39 3 8 0 118 383.47 5
Mid Mid (pH 6-8) -0.85 -0.63 -80.86 2 8 -1 113 382.462 5

Activity (Go SEA)

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