UCSF

ZINC12535894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 29 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) 3.07 7.81 -18.23 2 7 0 89 417.441 7
Mid Mid (pH 6-8) 3.07 8.24 -43.32 3 7 1 90 418.449 7

Activity (Go SEA)

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