UCSF

ZINC13570322

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 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) 2.96 6.89 -55.07 0 7 -1 82 455.918 7
Mid Mid (pH 6-8) 3.41 8.28 -48.74 2 7 1 81 457.934 6
Mid Mid (pH 6-8) 2.38 9.01 -48.96 1 7 1 77 457.934 7
Mid Mid (pH 6-8) 2.96 9.22 -70.7 1 7 0 83 456.926 7

Activity (Go SEA)

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