UCSF

ZINC04791078

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 31 Yes

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) 5.63 13.87 -13.62 1 5 0 56 407.473 4
Mid Mid (pH 6-8) 5.63 14.31 -29.47 2 5 1 57 408.481 4

Activity (Go SEA)

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