UCSF

ZINC62039004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.93 8.16 -23.67 3 9 0 141 496.57 7
Hi High (pH 8-9.5) 6.38 7.69 -92.12 1 9 -2 147 494.554 7
Mid Mid (pH 6-8) 5.93 8.93 -45.4 2 9 -1 144 495.562 7

Activity (Go SEA)

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