UCSF

ZINC02951205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 24 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) 4.22 8.47 -43.06 0 6 -1 90 342.331 4
Hi High (pH 8-9.5) 5.17 6.78 -50.69 0 6 -1 94 342.331 3

Activity (Go SEA)

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