UCSF

ZINC34850361

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 1.79 11.51 -59.12 3 6 0 103 382.46 10
Hi High (pH 8-9.5) 1.79 10.47 -66.81 2 6 -1 98 381.452 10

Activity (Go SEA)

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