UCSF

ZINC37818466

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) 0.04 3.89 -46.82 2 5 1 53 277.392 6
Mid Mid (pH 6-8) 0.04 6.11 -100.62 3 5 2 54 278.4 6

Activity (Go SEA)

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