UCSF

ZINC09531832

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 35 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) 4.99 12.86 -44.56 2 7 0 89 474.557 10
Hi High (pH 8-9.5) 4.99 11.46 -58.45 1 7 -1 85 473.549 10

Activity (Go SEA)

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