UCSF

ZINC06080871

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.03 4.22 -78.85 2 5 0 74 214.265 7
Hi High (pH 8-9.5) -0.03 1.89 -63.18 1 5 -1 72 213.257 7

Activity (Go SEA)

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