UCSF

ZINC38723657

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 26 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) 4.17 13.97 -51.83 1 3 0 45 385.554 4
Hi High (pH 8-9.5) 4.17 11.75 -47.98 0 3 -1 43 384.546 4

Activity (Go SEA)

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