UCSF

ZINC24369621

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 20 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) 3.54 6.82 -41.75 1 4 1 42 403.149 3
Mid Mid (pH 6-8) 3.54 4.49 -5.52 0 4 0 41 402.141 3

Activity (Go SEA)

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