UCSF

ZINC37197193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.38 9.59 -76.49 3 3 2 21 283.504 7
Hi High (pH 8-9.5) 3.38 6.3 -35.01 2 3 1 23 282.496 7
Lo Low (pH 4.5-6) 3.38 8.23 -97.68 3 3 2 24 283.504 7
Lo Low (pH 4.5-6) 3.38 10.53 -178.11 4 3 3 25 284.512 7

Activity (Go SEA)

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