UCSF

ZINC37039919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.54 0.93 -99.38 4 5 2 48 272.437 7
Hi High (pH 8-9.5) -0.54 -1.34 -43.73 3 5 1 47 271.429 7
Mid Mid (pH 6-8) -0.54 3.21 -162.58 5 5 3 49 273.445 7

Activity (Go SEA)

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