UCSF

ZINC16095937

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) 4.53 5.58 -13.09 2 6 0 92 452.504 6
Hi High (pH 8-9.5) 4.53 5.66 -44.27 1 6 -1 94 451.496 6
Hi High (pH 8-9.5) 4.53 5.67 -44.31 1 6 -1 94 451.496 6
Hi High (pH 8-9.5) 4.53 5.74 -98.86 0 6 -2 96 450.488 6

Activity (Go SEA)

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