UCSF

ZINC23581082

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 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) 2.43 8.18 -50.88 2 5 1 59 332.399 5
Mid Mid (pH 6-8) 2.43 7.74 -17.52 1 5 0 58 331.391 5

Activity (Go SEA)

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