UCSF

ZINC37023372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.74 7.65 -41.78 3 3 1 46 293.456 4
Mid Mid (pH 6-8) 3.74 6.27 -6.5 2 3 0 41 292.448 4

Activity (Go SEA)

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