UCSF

ZINC34828120

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 4.86 11.9 -16.5 1 10 0 140 522.554 9
Hi High (pH 8-9.5) 4.86 12.97 -56.45 0 10 -1 143 521.546 9
Mid Mid (pH 6-8) 5.04 11.37 -16.3 1 10 0 140 522.554 9
Mid Mid (pH 6-8) 5.02 11.22 -14.57 1 10 0 140 522.554 9

Activity (Go SEA)

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