UCSF

ZINC37256168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 0.45 5.06 -7.27 3 3 0 55 246.354 3
Mid Mid (pH 6-8) 0.45 5.38 -43.27 4 3 1 57 247.362 3

Activity (Go SEA)

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