UCSF

ZINC06295312

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 29 No

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) 2.94 10.77 -40.6 0 5 -1 73 383.427 5
Lo Low (pH 4.5-6) 2.94 9.64 -17.62 1 5 0 71 384.435 5

Activity (Go SEA)

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