UCSF

ZINC61295899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 No

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) -0.29 -0.22 -44.53 4 7 1 95 283.352 3
Hi High (pH 8-9.5) -0.10 -2.8 -43.52 2 7 -1 97 281.336 3
Hi High (pH 8-9.5) -0.29 -0.15 -10.62 3 7 0 91 282.344 3
Hi High (pH 8-9.5) -0.10 -2.88 -63.84 3 7 0 101 282.344 3

Activity (Go SEA)

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

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