UCSF

ZINC27653511

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 39 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) 7.46 19.48 -62.49 1 6 -1 79 528.717 18
Lo Low (pH 4.5-6) 7.46 18.36 -24.2 2 6 0 76 529.725 18

Activity (Go SEA)

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