UCSF

ZINC40288350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 22 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) 0.57 5.55 -11.64 2 5 0 75 313.744 3
Mid Mid (pH 6-8) 1.87 5.41 -47.48 1 5 -1 78 312.736 3
Lo Low (pH 4.5-6) 0.57 6.01 -37.92 3 5 1 76 314.752 3

Activity (Go SEA)

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