UCSF

ZINC43814381

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 4.24 9.07 -28.53 2 2 1 16 275.46 6
Mid Mid (pH 6-8) 4.24 10.66 -105.76 3 2 2 21 276.468 6
Mid Mid (pH 6-8) 4.24 8.7 -36.42 2 2 1 20 275.46 6

Activity (Go SEA)

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