UCSF

ZINC50079678

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 22 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) 0.39 5.28 -48.11 2 7 1 74 309.39 2
Mid Mid (pH 6-8) 0.39 2.93 -13.21 1 7 0 73 308.382 2

Activity (Go SEA)

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