UCSF

ZINC41669716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 4.11 6.39 -11.59 0 6 0 55 485.378 5
Mid Mid (pH 6-8) 4.11 9.24 -57.31 1 6 1 56 486.386 5
Mid Mid (pH 6-8) 4.11 8.66 -50.54 1 6 1 56 486.386 5
Lo Low (pH 4.5-6) 4.11 11.51 -132.39 2 6 2 58 487.394 5

Activity (Go SEA)

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