UCSF

ZINC06325514

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 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) 5.20 8.49 -19.31 2 6 0 84 385.851 5
Hi High (pH 8-9.5) 5.20 9.5 -65.31 1 6 -1 87 384.843 5

Activity (Go SEA)

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