UCSF

ZINC08845713

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 38 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) 4.25 8.33 -16.48 2 9 0 106 515.566 8
Hi High (pH 8-9.5) 4.25 9.07 -41.81 1 9 -1 109 514.558 8

Activity (Go SEA)

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