UCSF

ZINC04552344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 13 Yes

Other Names:

MFCD00160586

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) 2.67 0.59 -7.19 0 2 0 22 173.215 1
Mid Mid (pH 6-8) 2.67 0.64 -25.92 1 2 1 23 174.223 1

Activity (Go SEA)

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