UCSF

ZINC14190066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 29 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) 2.33 8.44 -40.22 2 6 1 57 401.575 7
Hi High (pH 8-9.5) 2.33 6.27 -15.55 1 6 0 56 400.567 7

Activity (Go SEA)

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