UCSF

ZINC35054533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 1.26 5.03 -46.8 2 5 1 69 278.357 7
Mid Mid (pH 6-8) 1.26 3.66 -11.97 1 5 0 64 277.349 7

Activity (Go SEA)

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