UCSF

ZINC44459909

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2010 42 No

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) 5.93 16.34 -17.07 0 6 0 77 540.63 6
Lo Low (pH 4.5-6) 5.93 16.7 -46.38 1 6 1 79 541.638 6

Activity (Go SEA)

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