UCSF

ZINC36667438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) -0.46 2.93 -53.27 4 4 1 81 218.28 5
Mid Mid (pH 6-8) -0.46 2.63 -14.61 3 4 0 79 217.272 5

Activity (Go SEA)

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