UCSF

ZINC20101931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 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) 2.10 4.28 -61.97 1 8 -1 102 451.499 8
Mid Mid (pH 6-8) 2.10 6.61 -80.67 2 8 0 104 452.507 8

Activity (Go SEA)

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