UCSF

ZINC33808347

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 3.15 11.52 -54.6 0 7 -1 92 469.517 10
Lo Low (pH 4.5-6) 3.15 10.23 -20.77 1 7 0 89 470.525 10

Activity (Go SEA)

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