UCSF

ZINC38134636

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 18 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) 2.28 6.27 -41.77 2 3 1 39 243.33 5
Hi High (pH 8-9.5) 2.28 5.22 -6.43 1 3 0 34 242.322 5
Lo Low (pH 4.5-6) 2.28 6.76 -104.31 3 3 2 40 244.338 5

Activity (Go SEA)

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