UCSF

ZINC06448851

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 31 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) 4.42 8.09 -13.39 3 7 0 103 407.433 4
Hi High (pH 8-9.5) 4.88 6.28 -52.09 2 7 -1 106 406.425 4

Activity (Go SEA)

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