UCSF

ZINC25553112

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 21 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) 3.42 9.44 -37.08 2 3 1 34 309.861 5
Hi High (pH 8-9.5) 3.42 7.38 -8.2 1 3 0 32 308.853 5

Activity (Go SEA)

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