UCSF

ZINC37984880

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 2.04 3.35 -48.83 3 4 1 55 351.286 8
Mid Mid (pH 6-8) 2.04 1.92 -8.87 2 4 0 51 350.278 8

Activity (Go SEA)

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