UCSF

ZINC09358863

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 30 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 -2.78 -13.57 3 6 0 86 439.924 5
Lo Low (pH 4.5-6) 5.16 -2.67 -37.55 4 6 1 87 440.932 5

Activity (Go SEA)

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