UCSF

ZINC28226950

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 25 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) 2.10 3.74 -19.68 1 6 0 59 427.265 7
Mid Mid (pH 6-8) 2.10 6.06 -59.01 2 6 1 61 428.273 7

Activity (Go SEA)

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