UCSF

ZINC35701486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) 1.11 3.06 -42.83 3 3 1 44 209.313 5
Mid Mid (pH 6-8) 1.11 4.54 -28.78 3 3 1 44 209.313 5

Activity (Go SEA)

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