UCSF

ZINC37851676

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.08 3.17 -103.3 4 5 2 60 264.41 12
Mid Mid (pH 6-8) -0.08 0.69 -42.64 3 5 1 59 263.402 12

Activity (Go SEA)

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