UCSF

ZINC02294604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 20 No

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) -0.51 -3.9 -15.37 3 9 0 113 280.288 4
Mid Mid (pH 6-8) -2.60 -3.42 -45.55 4 9 1 115 281.296 4

Activity (Go SEA)

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