UCSF

ZINC76904143

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 18 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) 1.01 8.43 -42.76 1 4 1 49 252.382 8
Hi High (pH 8-9.5) 1.01 7.25 -10.94 0 4 0 47 251.374 8

Activity (Go SEA)

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