UCSF

ZINC05244576

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 20 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) 0.64 3.18 -43.39 1 7 -1 104 275.24 3
Ref Reference (pH 7) 0.64 3.2 -41.83 1 7 -1 104 275.24 3

Activity (Go SEA)

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