UCSF

ZINC37811415

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.43 6.06 -45.96 3 4 1 72 278.351 5
Mid Mid (pH 6-8) 1.43 5.73 -11.13 2 4 0 70 277.343 5

Activity (Go SEA)

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