UCSF

ZINC31975505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 4.82 10.32 -59.26 3 3 1 45 334.83 3
Hi High (pH 8-9.5) 4.82 9.99 -9.42 2 3 0 43 333.822 3

Activity (Go SEA)

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