UCSF

ZINC31947334

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) 1.13 6.4 -56.77 2 5 1 55 279.389 1
Hi High (pH 8-9.5) 1.13 4.98 -9.74 1 5 0 50 278.381 1

Activity (Go SEA)

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