UCSF

ZINC21791039

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 16 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) 4.38 9.46 -37.15 2 1 1 17 240.436 7
Hi High (pH 8-9.5) 4.38 8.18 -2.26 1 1 0 12 239.428 7

Activity (Go SEA)

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