UCSF

ZINC19477918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) -0.14 2.35 -7.55 3 5 0 75 206.249 2
Mid Mid (pH 6-8) -0.14 1.46 -36.7 4 5 1 76 207.257 2

Activity (Go SEA)

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