UCSF

ZINC35099179

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 3.70 5.78 -39.66 0 4 -1 61 309.798 4
Mid Mid (pH 6-8) 3.70 4.5 -9.3 1 4 0 59 310.806 4

Activity (Go SEA)

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