UCSF

ZINC37795880

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.15 7.66 -46.16 1 5 -1 72 281.719 4
Lo Low (pH 4.5-6) 2.15 5.58 -8.49 2 5 0 70 282.727 4

Activity (Go SEA)

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