UCSF

ZINC35595091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 30 No

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) 0.99 2.74 -87.88 3 8 1 119 450.562 5
Mid Mid (pH 6-8) 0.99 0.57 -28.01 2 8 0 118 449.554 5

Activity (Go SEA)

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