UCSF

ZINC20263639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.93 7.78 -59.6 0 7 -1 82 447.511 9
Mid Mid (pH 6-8) 2.93 10.04 -72.57 1 7 0 83 448.519 9

Activity (Go SEA)

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