UCSF

ZINC62001486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 31 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) 4.20 7.79 -17.18 2 7 0 94 425.481 8
Hi High (pH 8-9.5) 4.20 8.58 -59.41 1 7 -1 97 424.473 8

Activity (Go SEA)

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

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