UCSF

ZINC19436215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -0.17 4.51 -39.29 4 6 1 79 264.353 3
Mid Mid (pH 6-8) -0.17 4.73 -94.91 5 6 2 80 265.361 3

Activity (Go SEA)

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