UCSF

ZINC39967342

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 27 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) 4.64 13.8 -43.89 1 5 1 44 389.589 8
Hi High (pH 8-9.5) 4.64 11.58 -12.64 0 5 0 43 388.581 8

Activity (Go SEA)

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