UCSF

ZINC37017338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.83 8.07 -38.55 2 4 1 47 269.731 4
Mid Mid (pH 6-8) 1.83 6.9 -12.07 1 4 0 43 268.723 4

Activity (Go SEA)

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