UCSF

ZINC16805791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 36 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) 2.98 11.26 -73.53 1 9 0 110 496.56 12
Hi High (pH 8-9.5) 2.98 9.01 -57.32 0 9 -1 108 495.552 12
Mid Mid (pH 6-8) 3.42 10.16 -66.2 2 9 1 107 497.568 11
Mid Mid (pH 6-8) 2.39 11.19 -69.45 1 9 1 104 497.568 12

Activity (Go SEA)

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