UCSF

ZINC03376556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 28 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) 4.33 14.32 -42.32 1 7 1 81 418.93 7
Mid Mid (pH 6-8) 4.33 12.29 -12.28 0 7 0 80 417.922 7

Activity (Go SEA)

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