UCSF

ZINC45769132

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 1.70 5.22 -35.54 2 5 1 46 312.478 8
Hi High (pH 8-9.5) 1.70 3.05 -7.75 1 5 0 45 311.47 8

Activity (Go SEA)

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