UCSF

ZINC37809138

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.96 6.6 -38.43 2 4 1 46 257.398 8
Hi High (pH 8-9.5) 1.96 5 -8.73 1 4 0 42 256.39 8

Activity (Go SEA)

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