UCSF

ZINC28635912

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 40 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) 0.33 9.7 -272.41 13 8 5 119 576.04 37
Mid Mid (pH 6-8) 0.33 13.74 -608.68 16 8 8 133 579.064 37

Activity (Go SEA)

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