UCSF

ZINC19429781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) -0.75 0.72 -11.13 3 6 0 84 222.248 2
Mid Mid (pH 6-8) -0.75 1.11 -39.74 4 6 1 85 223.256 2

Activity (Go SEA)

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