UCSF

ZINC43845695

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 31 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) 9.37 20.66 -27.84 1 2 1 8 435.805 18
Mid Mid (pH 6-8) 9.37 20.93 0.6 2 2 0 9 436.813 18

Activity (Go SEA)

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