UCSF

ZINC42462785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.89 7.18 -9.14 1 5 0 46 254.359 2
Mid Mid (pH 6-8) 1.62 7.94 -46.28 0 5 -1 43 253.351 2

Activity (Go SEA)

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