UCSF

ZINC52900056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 27 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) 4.15 8.46 -18.37 1 5 0 61 372.509 3
Hi High (pH 8-9.5) 4.15 9.06 -64.54 0 5 -1 64 371.501 3

Activity (Go SEA)

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

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