UCSF

ZINC29340138

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 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) -0.42 6.79 -63.42 1 6 -1 86 385.346 3
Lo Low (pH 4.5-6) -3.17 5.7 -46.31 2 6 0 89 386.354 2

Activity (Go SEA)

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