UCSF

ZINC21704340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 2.82 9.33 -44.39 1 7 0 86 421.526 5
Hi High (pH 8-9.5) 2.82 7.1 -50.81 0 7 -1 85 420.518 5
Hi High (pH 8-9.5) 3.00 8.18 -25.75 1 7 0 78 421.526 5
Mid Mid (pH 6-8) 3.00 10.41 -62.75 2 7 1 80 422.534 5

Activity (Go SEA)

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