UCSF

ZINC37840594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.77 4.36 -47.76 2 6 1 70 299.42 4
Mid Mid (pH 6-8) 0.77 2.14 -9.3 1 6 0 69 298.412 4

Activity (Go SEA)

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