UCSF

ZINC02675872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 27 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) 3.13 4.79 -27.98 3 7 0 103 449.692 5
Hi High (pH 8-9.5) 3.58 2.9 -62.05 2 7 -1 107 448.684 5

Activity (Go SEA)

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