UCSF

ZINC62534457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 1.41 7.31 -35.72 2 5 1 57 266.365 8
Hi High (pH 8-9.5) 1.41 6.83 -11.71 1 5 0 56 265.357 8
Mid Mid (pH 6-8) 1.41 8.18 -97.16 3 5 2 62 267.373 8

Activity (Go SEA)

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

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