UCSF

ZINC20999250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 31 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) 2.56 8.17 -50.55 1 7 1 63 425.553 7
Mid Mid (pH 6-8) 2.56 8.17 -50.51 1 7 1 63 425.553 7
Mid Mid (pH 6-8) 2.56 5.85 -9.17 0 7 0 62 424.545 7

Activity (Go SEA)

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