UCSF

ZINC04365527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 25 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) 2.48 6.51 -57.76 2 7 -1 99 379.849 6
Lo Low (pH 4.5-6) 2.02 7.58 -21.19 3 7 0 96 380.857 6

Activity (Go SEA)

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