UCSF

ZINC37054513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.38 1.62 -7.87 2 5 0 67 283.397 2
Mid Mid (pH 6-8) 1.38 3.97 -44.52 3 5 1 68 284.405 2

Activity (Go SEA)

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