UCSF

ZINC21810631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 14 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) 1.68 0.11 -7.94 1 4 0 63 209.274 2
Mid Mid (pH 6-8) 2.04 1.92 -10.4 2 4 0 65 209.274 2

Activity (Go SEA)

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