UCSF

ZINC01047976

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 31 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) 6.42 11.82 -15.31 1 4 0 55 460.399 7
Mid Mid (pH 6-8) 6.88 10.94 -38.81 0 4 -1 58 459.391 7
Mid Mid (pH 6-8) 6.42 11.14 -18.57 1 4 0 55 460.399 7

Activity (Go SEA)

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

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