UCSF

ZINC10512344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 26 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) 3.90 -4.94 -12.72 2 5 0 75 384.482 4
Hi High (pH 8-9.5) 3.90 -4.62 -42.55 1 5 -1 77 383.474 4

Activity (Go SEA)

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

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