UCSF

ZINC06411876

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 17 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) 2.43 2.56 -34.77 1 4 -1 65 253.347 5
Mid Mid (pH 6-8) 2.57 4.46 -5.66 2 4 0 58 254.355 5

Activity (Go SEA)

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