UCSF

ZINC27689024

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 24 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) 1.33 2.51 -18.28 2 6 0 71 353.85 8
Mid Mid (pH 6-8) 1.33 4.79 -55.21 3 6 1 72 354.858 8

Activity (Go SEA)

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