UCSF

ZINC49371734

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 No

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) 4.30 6.06 -10.31 1 2 0 33 267.662 2
Hi High (pH 8-9.5) 4.30 6.83 -48.39 0 2 -1 35 266.654 2

Activity (Go SEA)

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