UCSF

ZINC34652477

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 14 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) -0.10 5.95 -42.53 1 4 1 49 198.29 6
Hi High (pH 8-9.5) -0.10 3.89 -12 0 4 0 47 197.282 6

Activity (Go SEA)

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