UCSF

ZINC39952143

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 1.60 3.88 -45.36 3 4 1 55 223.296 7
Hi High (pH 8-9.5) 9.98 24.16 -5 0 1 0 9 575.025 21

Activity (Go SEA)

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