UCSF

ZINC14108287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 29 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) 2.71 8.61 -12.86 0 6 0 49 414.937 6
Mid Mid (pH 6-8) 2.71 10.94 -53.78 1 6 1 50 415.945 6

Activity (Go SEA)

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