UCSF

ZINC36996337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 3.24 7.41 -32.22 2 2 1 16 271.837 3
Lo Low (pH 4.5-6) 3.24 6.41 -41.6 2 2 1 20 271.837 3
Lo Low (pH 4.5-6) 3.24 8.66 -114.52 3 2 2 21 272.845 3

Activity (Go SEA)

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