UCSF

ZINC49766375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 38 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) 9.26 21.88 -25.41 2 5 1 57 520.782 17
Mid Mid (pH 6-8) 9.26 21.59 -15.8 1 5 0 56 519.774 17
Mid Mid (pH 6-8) 9.26 21.71 -32.31 3 5 0 61 521.79 17
Mid Mid (pH 6-8) 9.26 21.77 -25.66 2 5 0 60 520.782 17

Activity (Go SEA)

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