UCSF

ZINC35267003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.11 9.38 -24.98 2 6 0 84 380.473 6
Hi High (pH 8-9.5) 3.30 7.34 -58.79 1 6 -1 90 379.465 6

Activity (Go SEA)

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