UCSF

ZINC41590554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 1.85 6.3 -41.98 2 7 1 84 403.528 5
Mid Mid (pH 6-8) 1.85 5.96 -14.26 1 7 0 83 402.52 5

Activity (Go SEA)

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