UCSF

ZINC31919296

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 3.69 7.26 -12.33 3 4 0 64 318.405 3
Lo Low (pH 4.5-6) 3.69 7.79 -39.99 4 4 1 65 319.413 3

Activity (Go SEA)

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