UCSF

ZINC65588646

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 17 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) -1.03 7.42 -53.18 1 5 1 72 235.311 7
Hi High (pH 8-9.5) -1.03 5.2 -17.24 0 5 0 71 234.303 7

Activity (Go SEA)

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