UCSF

ZINC35128095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 16 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) -1.02 -0.03 -7.73 1 6 0 65 224.264 1
Mid Mid (pH 6-8) -1.02 2.35 -44.64 2 6 1 66 225.272 1

Activity (Go SEA)

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