UCSF

ZINC48748136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 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) 3.17 8.72 -38.3 1 3 1 21 254.785 3
Hi High (pH 8-9.5) 3.17 6.88 -5.04 0 3 0 19 253.777 3

Activity (Go SEA)

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