UCSF

ZINC23777134

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 27 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) 1.44 5.16 -17.83 1 9 0 105 394.453 6
Mid Mid (pH 6-8) 1.44 7.33 -68.07 2 9 1 106 395.461 6

Activity (Go SEA)

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