UCSF

ZINC42767890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.91 4.56 -30.37 4 3 1 55 274.31 7
Mid Mid (pH 6-8) 1.91 6.6 -89.41 5 3 2 56 275.318 7

Activity (Go SEA)

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