UCSF

ZINC35776036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 19 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) 2.00 3.14 -13.47 2 4 0 48 280.393 5
Mid Mid (pH 6-8) 2.00 5.37 -47.66 3 4 1 49 281.401 5

Activity (Go SEA)

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