UCSF

ZINC46948527

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 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) -0.66 5.69 -57.23 2 9 1 89 362.458 6
Hi High (pH 8-9.5) -0.66 3.42 -19.04 1 9 0 88 361.45 6

Activity (Go SEA)

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