UCSF

ZINC37869360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.05 2.34 -39.19 4 4 1 69 277.266 6
Mid Mid (pH 6-8) 2.05 1.36 -7.26 3 4 0 64 276.258 6

Activity (Go SEA)

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