UCSF

ZINC31970393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -1.01 6.15 -49.43 8 9 1 156 451.979 12
Mid Mid (pH 6-8) -1.14 6.5 -94.48 9 9 2 160 452.987 11

Activity (Go SEA)

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