UCSF

ZINC42446856

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.00 5.63 -55.3 4 5 1 83 279.339 6
Mid Mid (pH 6-8) 2.00 4.03 -14.63 3 5 0 82 278.331 6

Activity (Go SEA)

Rings

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