UCSF

ZINC36873807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.31 5.4 -46.59 4 3 1 56 250.753 4
Hi High (pH 8-9.5) 1.31 5.14 -6.43 3 3 0 55 249.745 4
Lo Low (pH 4.5-6) 1.31 6.05 -122.46 5 3 2 58 251.761 4

Activity (Go SEA)

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