UCSF

ZINC35609532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 21 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) 1.21 -0.9 -8.83 3 6 0 87 354.259 4
Lo Low (pH 4.5-6) 1.21 1.35 -42.33 4 6 1 88 355.267 4

Activity (Go SEA)

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