UCSF

ZINC44518462

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) -0.12 -0.02 -43.13 3 5 1 71 277.41 4
Mid Mid (pH 6-8) -0.12 0.99 -114.49 4 5 2 75 278.418 4

Activity (Go SEA)

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