UCSF

ZINC43248030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.10 3.8 -37.85 3 3 1 44 302.467 4
Hi High (pH 8-9.5) 2.10 5.63 -33.32 3 3 1 43 302.467 4
Hi High (pH 8-9.5) 2.10 3.48 -4.75 2 3 0 42 301.459 4
Lo Low (pH 4.5-6) 2.10 4.28 -105.51 4 3 2 45 303.475 4

Activity (Go SEA)

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