UCSF

ZINC19960255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.46 6.19 -53.58 2 4 1 46 277.388 7
Mid Mid (pH 6-8) 2.46 7.22 -40.49 2 4 1 43 277.388 7
Mid Mid (pH 6-8) 2.46 8.56 -126.46 3 4 2 47 278.396 7

Activity (Go SEA)

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