UCSF

ZINC37037759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -1.31 1.55 -50.14 3 5 1 64 263.365 4
Mid Mid (pH 6-8) -1.31 3.78 -118.6 4 5 2 65 264.373 4

Activity (Go SEA)

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