UCSF

ZINC40234829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 18 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) 2.51 8.82 -49.35 0 4 -1 60 246.286 4
Lo Low (pH 4.5-6) 2.51 6.82 -10.08 1 4 0 58 247.294 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.