UCSF

ZINC19796519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 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) 4.05 9.58 -16.92 1 6 0 72 427.913 4
Hi High (pH 8-9.5) 4.12 8.67 -46.78 0 6 -1 78 426.905 4

Activity (Go SEA)

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