UCSF

ZINC50823769

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.13 7.8 -14.29 1 5 0 53 317.433 5
Mid Mid (pH 6-8) 2.13 7.86 -28.34 2 5 0 54 318.441 5

Activity (Go SEA)

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