UCSF

ZINC31965483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.74 4.93 -53.21 1 6 -1 87 260.273 5
Lo Low (pH 4.5-6) 0.74 5.34 -63.65 2 6 0 88 261.281 5

Activity (Go SEA)

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