UCSF

ZINC39747972

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 30 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) 3.18 7.78 -13.99 2 10 0 135 429.458 9
Hi High (pH 8-9.5) 3.18 7.59 -43.49 1 10 -1 133 428.45 9

Activity (Go SEA)

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