UCSF

ZINC40064840

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 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) 4.32 8.99 -14.52 1 7 0 89 514.372 4
Hi High (pH 8-9.5) 4.32 9.9 -53.04 0 7 -1 92 513.364 4

Activity (Go SEA)

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