UCSF

ZINC41624687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 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) 3.70 8.88 -33.15 1 6 1 65 362.475 4
Hi High (pH 8-9.5) 3.70 8.48 -14.66 0 6 0 64 361.467 4

Activity (Go SEA)

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

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