UCSF

ZINC31947515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.70 7.24 -58.03 2 5 1 55 293.416 3
Hi High (pH 8-9.5) 1.70 5.82 -9.7 1 5 0 50 292.408 3

Activity (Go SEA)

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