UCSF

ZINC62962403

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 0.66 0.4 -62.08 3 4 1 65 261.411 2
Mid Mid (pH 6-8) 0.66 1.61 -43.5 3 4 1 65 261.411 2
Mid Mid (pH 6-8) 0.66 -0.1 -9.9 2 4 0 63 260.403 2
Lo Low (pH 4.5-6) 0.66 1.96 -146.86 4 4 2 66 262.419 2

Activity (Go SEA)

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

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