UCSF

ZINC71497725

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.22 5 -87.73 3 5 2 53 269.389 6
Hi High (pH 8-9.5) 0.22 2.06 -8.61 1 5 0 51 267.373 6
Mid Mid (pH 6-8) 0.22 4.4 -38.19 2 5 1 52 268.381 6

Activity (Go SEA)

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

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