UCSF

ZINC36769532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.49 3.84 -44.47 3 3 1 40 269.453 3
Lo Low (pH 4.5-6) 2.49 5.94 -124.26 4 3 2 41 270.461 3

Activity (Go SEA)

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