UCSF

ZINC45702453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 0.04 5.49 -49.05 2 5 1 69 218.273 10
Hi High (pH 8-9.5) 0.04 4.14 -8.62 1 5 0 65 217.265 10

Activity (Go SEA)

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