UCSF

ZINC31947464

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) 2.59 8.79 -56.97 2 5 1 55 333.481 2
Hi High (pH 8-9.5) 2.59 7.37 -9.48 1 5 0 50 332.473 2

Activity (Go SEA)

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