UCSF

ZINC64246585

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2011 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.48 7.68 -40.09 2 5 1 54 312.478 9
Hi High (pH 8-9.5) 2.48 5.74 -13.5 1 5 0 53 311.47 9

Activity (Go SEA)

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