UCSF

ZINC18105623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 26 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) 0.68 3.47 -69.01 4 7 1 114 394.498 7
Hi High (pH 8-9.5) 0.68 2.19 -19.17 3 7 0 110 393.49 7

Activity (Go SEA)

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