UCSF

ZINC36997675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.68 8.99 -31.17 2 2 1 16 281.851 5
Mid Mid (pH 6-8) 3.68 7.74 -36.71 2 2 1 20 281.851 5
Lo Low (pH 4.5-6) 3.68 9.98 -99.25 3 2 2 21 282.859 5

Activity (Go SEA)

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