UCSF

ZINC41790711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 26 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) 2.64 7.7 -17.06 1 6 0 85 372.446 6
Hi High (pH 8-9.5) 2.64 6.77 -43.42 0 6 -1 87 371.438 6

Activity (Go SEA)

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