UCSF

ZINC39899864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 5.75 12.73 -11.5 0 4 0 36 372.468 7
Lo Low (pH 4.5-6) 5.75 13.38 -29.13 1 4 1 38 373.476 7

Activity (Go SEA)

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