UCSF

ZINC20057951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 3.56 7.85 -53.02 0 6 -1 73 460.337 6
Mid Mid (pH 6-8) 3.56 10.19 -67.41 1 6 0 74 461.345 6

Activity (Go SEA)

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