UCSF

ZINC26267161

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 30 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) -0.82 1.6 -29.8 4 12 0 157 419.442 6
Mid Mid (pH 6-8) -0.82 2.08 -50.12 5 12 1 158 420.45 6

Activity (Go SEA)

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