UCSF

ZINC43436855

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 2.76 7.46 -45.86 0 5 -1 67 311.408 5
Mid Mid (pH 6-8) 2.30 8.68 -13.99 1 5 0 64 312.416 5

Activity (Go SEA)

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