UCSF

ZINC63001507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 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) 0.99 2.12 -17.75 2 5 0 79 302.355 4
Hi High (pH 8-9.5) 0.99 1.25 -43.77 1 5 -1 81 301.347 4

Activity (Go SEA)

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

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