UCSF

ZINC37255800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 2.54 6.31 -31.01 2 2 1 16 211.373 3
Lo Low (pH 4.5-6) 2.54 7.5 -107.31 3 2 2 21 212.381 3
Lo Low (pH 4.5-6) 2.54 5.09 -35.68 2 2 1 20 211.373 3

Activity (Go SEA)

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