UCSF

ZINC35698195

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 1.91 6.31 -40.52 1 4 0 45 293.417 1
Mid Mid (pH 6-8) 1.45 7.32 -36.24 2 4 1 42 294.425 1

Activity (Go SEA)

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