UCSF

ZINC04853719

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 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) 3.39 12.76 -8.02 1 8 0 76 360.393 4
Mid Mid (pH 6-8) 3.39 13.24 -31.02 2 8 1 77 361.401 4

Activity (Go SEA)

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