UCSF

ZINC37786353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 4.61 9.63 -30.14 2 2 1 16 289.487 5
Lo Low (pH 4.5-6) 4.61 10.82 -105.01 3 2 2 21 290.495 5

Activity (Go SEA)

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