UCSF

ZINC36904521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 2.79 9.59 -114.37 3 2 2 21 246.398 5
Mid Mid (pH 6-8) 2.79 7.36 -38.46 2 2 1 20 245.39 5
Mid Mid (pH 6-8) 2.79 8.41 -34.94 2 2 1 16 245.39 5

Activity (Go SEA)

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