UCSF

ZINC37997645

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 2.91 10.29 -116.14 3 3 2 45 273.424 6
Hi High (pH 8-9.5) 2.91 8.37 -50.52 2 3 1 44 272.416 6

Activity (Go SEA)

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