UCSF

ZINC37871482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) -0.13 0.58 -12.5 2 4 0 65 169.228 5
Mid Mid (pH 6-8) -0.13 1.79 -48.29 3 4 1 69 170.236 5

Activity (Go SEA)

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