UCSF

ZINC20440090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 34 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) 1.42 7.49 -56.59 0 9 -1 106 464.498 6
Mid Mid (pH 6-8) 1.42 9.83 -61.65 1 9 0 108 465.506 6

Activity (Go SEA)

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