UCSF

ZINC35478900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 27 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) 2.56 7.25 -18.36 2 7 0 85 358.405 5
Lo Low (pH 4.5-6) 2.56 7.71 -53.36 3 7 1 86 359.413 5

Activity (Go SEA)

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