UCSF

ZINC31947382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 0.59 4.68 -64.32 4 5 1 75 253.351 4
Hi High (pH 8-9.5) 0.59 4.31 -13.87 3 5 0 73 252.343 4

Activity (Go SEA)

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