UCSF

ZINC37318656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 1.10 4.49 -39.78 4 4 1 60 274.388 5
Mid Mid (pH 6-8) 1.10 3.48 -51.72 4 4 1 63 274.388 5

Activity (Go SEA)

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