UCSF

ZINC37979431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) -1.29 3.14 -36.52 2 4 0 70 186.236 4
Mid Mid (pH 6-8) -1.29 1.79 -45.83 1 4 -1 65 185.228 4

Activity (Go SEA)

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