UCSF

ZINC16936509

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 24 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) 5.34 9.29 -52.92 1 5 -1 85 402.249 3
Hi High (pH 8-9.5) 5.79 7.56 -104.53 0 5 -2 88 401.241 3
Hi High (pH 8-9.5) 5.79 6.88 -101.11 0 5 -2 88 401.241 3
Lo Low (pH 4.5-6) 4.85 8.81 -105.53 0 5 -2 84 401.241 4

Activity (Go SEA)

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