UCSF

ZINC16095934

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 30 Yes

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) 4.33 5.17 -14.61 2 7 0 102 446.55 7
Hi High (pH 8-9.5) 4.33 5.25 -44.98 1 7 -1 104 445.542 7
Hi High (pH 8-9.5) 4.33 5.26 -47.5 1 7 -1 104 445.542 7
Hi High (pH 8-9.5) 4.33 5.33 -101.61 0 7 -2 106 444.534 7

Activity (Go SEA)

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