UCSF

ZINC37140364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 1.37 6.51 -106.87 5 4 2 64 291.439 7
Hi High (pH 8-9.5) 1.37 5.73 -39.78 4 4 1 60 290.431 7
Hi High (pH 8-9.5) 1.37 4.31 -40.59 4 4 1 63 290.431 7

Activity (Go SEA)

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