UCSF

ZINC77457002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2012 27 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) 3.18 7.35 -13.38 0 7 0 85 362.389 4
Lo Low (pH 4.5-6) 3.18 7.8 -43.79 1 7 1 87 363.397 4

Activity (Go SEA)

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

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