UCSF

ZINC21506562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 Yes

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) 4.12 10.33 -122.78 3 2 2 21 262.441 5
Hi High (pH 8-9.5) 4.12 7.92 -1.22 1 2 0 15 260.425 5
Mid Mid (pH 6-8) 4.12 8.1 -39.4 2 2 1 20 261.433 5

Activity (Go SEA)

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