UCSF

ZINC06419744

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 No

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) 5.28 11.7 -63.28 0 5 -1 70 406.502 9
Mid Mid (pH 6-8) 5.73 1.02 -24.66 1 5 0 66 407.51 8

Activity (Go SEA)

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