UCSF

ZINC37258655

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) 2.91 6.72 -32.39 2 2 1 16 211.373 5
Hi High (pH 8-9.5) 2.91 4.36 -0.43 1 2 0 15 210.365 5
Lo Low (pH 4.5-6) 2.91 5.56 -36.27 2 2 1 20 211.373 5
Lo Low (pH 4.5-6) 2.91 7.9 -109.79 3 2 2 21 212.381 5

Activity (Go SEA)

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