UCSF

ZINC13674324

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 5.16 8.36 -16.38 2 6 0 85 472.994 8
Hi High (pH 8-9.5) 5.16 8.45 -50.63 1 6 -1 87 471.986 8

Activity (Go SEA)

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