UCSF

ZINC31947333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 0.97 5.74 -63.53 4 5 1 75 279.389 3
Hi High (pH 8-9.5) 0.97 5.36 -13.81 3 5 0 73 278.381 3

Activity (Go SEA)

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