UCSF

ZINC35220367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 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) -0.15 5.4 -11.54 1 7 0 86 260.253 5
Lo Low (pH 4.5-6) -0.15 5.95 -37.15 2 7 1 87 261.261 5

Activity (Go SEA)

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