UCSF

ZINC41583949

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 6.80 12.31 -41.9 2 4 1 55 511.358 4
Hi High (pH 8-9.5) 6.80 12.88 -23.42 1 4 0 58 510.35 4

Activity (Go SEA)

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