UCSF

ZINC42779045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 2.52 5.25 -26.9 2 3 1 38 223.34 4
Mid Mid (pH 6-8) 2.52 4.88 -6.14 1 3 0 36 222.332 4

Activity (Go SEA)

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