UCSF

ZINC19919669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 3.64 6.55 -36.44 2 2 1 20 229.432 10
Hi High (pH 8-9.5) 3.64 7.73 -30.62 2 2 1 16 229.432 10
Mid Mid (pH 6-8) 3.64 8.78 -111.7 3 2 2 21 230.44 10

Activity (Go SEA)

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