UCSF

ZINC03100863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 31 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) 5.50 -5.6 -16.17 2 6 0 92 458.605 6
Hi High (pH 8-9.5) 5.50 -5.03 -52.23 1 6 -1 94 457.597 6
Hi High (pH 8-9.5) 5.50 -4.46 -118.31 0 6 -2 96 456.589 6

Activity (Go SEA)

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