UCSF

ZINC37786307

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 3.10 5.68 -34.7 2 2 1 20 225.4 3
Lo Low (pH 4.5-6) 3.10 7.8 -99.02 3 2 2 21 226.408 3

Activity (Go SEA)

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