UCSF

ZINC51854698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 22 Yes

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) 2.09 8.33 -42.26 2 5 1 54 312.478 11
Hi High (pH 8-9.5) 2.09 6.36 -12.63 1 5 0 53 311.47 11

Activity (Go SEA)

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