UCSF

ZINC04171661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 4.01 -1.55 -14.28 1 5 0 71 416.521 6
Mid Mid (pH 6-8) 4.01 0.2 -40.18 2 5 1 73 417.529 6

Activity (Go SEA)

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