UCSF

ZINC49548064

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 3.28 6.79 -19.63 1 7 0 88 390.49 5
Ref Reference (pH 7) 2.35 7.59 -23.59 1 7 0 84 390.49 6
Hi High (pH 8-9.5) 2.42 5.88 -58.3 0 7 -1 91 389.482 6

Activity (Go SEA)

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

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