UCSF

ZINC39221745

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 1.41 3.87 -13.29 2 6 0 68 335.448 8
Mid Mid (pH 6-8) 1.41 6.14 -43.58 3 6 1 69 336.456 8

Activity (Go SEA)

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