UCSF

ZINC37044804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.22 -1.3 -69.18 4 8 0 119 274.284 3
Lo Low (pH 4.5-6) -0.22 -1.21 -48.58 5 8 1 120 275.292 3

Activity (Go SEA)

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