UCSF

ZINC04316661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.63 14.65 -10.34 0 8 0 77 414.469 4
Mid Mid (pH 6-8) 3.63 15.13 -35.32 1 8 1 79 415.477 4

Activity (Go SEA)

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