UCSF

ZINC51159242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 23 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) 1.76 1.89 -13.56 2 6 0 98 362.448 6
Hi High (pH 8-9.5) 1.76 2.37 -40.04 1 6 -1 95 361.44 6

Activity (Go SEA)

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