UCSF

ZINC09281259

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 38 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) 4.16 12.64 -21.73 0 10 0 114 518.57 10
Mid Mid (pH 6-8) 0.25 14.47 -26.47 1 10 1 112 519.578 11

Activity (Go SEA)

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