UCSF

ZINC37039587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 14 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) -0.93 -0.06 -83.99 4 4 2 39 202.346 5
Hi High (pH 8-9.5) -0.93 -2.55 -43.06 3 4 1 37 201.338 5
Lo Low (pH 4.5-6) -0.93 2.21 -174.61 5 4 3 40 203.354 5
Lo Low (pH 4.5-6) -0.93 2.2 -173.88 5 4 3 40 203.354 5

Activity (Go SEA)

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