UCSF

ZINC05089713

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 26 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) 4.01 11.42 -47.94 2 4 1 37 376.883 5
Mid Mid (pH 6-8) 4.01 9.2 -8.95 1 4 0 36 375.875 5

Activity (Go SEA)

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