UCSF

ZINC36103955

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 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) 5.06 12.24 -50 2 3 1 34 408.537 10
Hi High (pH 8-9.5) 5.06 10.24 -9.79 1 3 0 33 407.529 10

Activity (Go SEA)

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

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