UCSF

ZINC62959975

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 3.01 9.36 -105.21 3 2 2 21 266.473 3
Hi High (pH 8-9.5) 3.01 8.01 -32.84 2 2 1 16 265.465 3
Mid Mid (pH 6-8) 3.01 7.68 -37.33 2 2 1 20 265.465 3

Activity (Go SEA)

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

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