UCSF

ZINC37998748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) -0.64 2.34 -10.84 1 4 0 62 176.223 4
Lo Low (pH 4.5-6) -0.64 3.7 -57.66 2 4 1 66 177.231 4

Activity (Go SEA)

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