UCSF

ZINC37085140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.87 4.84 -5.48 1 3 0 38 247.747 5
Mid Mid (pH 6-8) 2.87 6.06 -42.92 2 3 1 43 248.755 5

Activity (Go SEA)

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