UCSF

ZINC62820773

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 10 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) -0.20 1.5 -41.03 4 3 1 56 138.194 2
Hi High (pH 8-9.5) -0.20 1.06 -6.01 3 3 0 55 137.186 2
Lo Low (pH 4.5-6) -0.20 1.89 -102.04 5 3 2 58 139.202 2

Activity (Go SEA)

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

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