UCSF

ZINC37468719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 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) -0.80 -1.83 -41.28 4 4 1 66 191.276 4
Mid Mid (pH 6-8) -0.80 -3.27 -8.27 3 4 0 61 190.268 4

Activity (Go SEA)

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