UCSF

ZINC37381124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 1.79 5.42 -54.59 0 5 -1 68 251.258 5
Lo Low (pH 4.5-6) 1.79 3.43 -9.32 1 5 0 65 252.266 5

Activity (Go SEA)

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