UCSF

ZINC37045361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.48 3.76 -74.16 2 7 0 100 302.352 8
Hi High (pH 8-9.5) 0.48 1.29 -50.34 1 7 -1 99 301.344 8
Hi High (pH 8-9.5) 0.48 1.32 -113.51 0 7 -2 101 300.336 8
Hi High (pH 8-9.5) 0.48 3.79 -121.31 1 7 -1 102 301.344 8

Activity (Go SEA)

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