UCSF

ZINC09019870

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 33 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) 2.78 6.45 -46.94 1 8 -1 108 454.499 10
Mid Mid (pH 6-8) 3.23 5.78 -19.86 2 8 0 106 455.507 9
Mid Mid (pH 6-8) 2.20 6 -17.83 1 8 0 102 455.507 10

Activity (Go SEA)

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