UCSF

ZINC41669710

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.19 8.24 -13.21 0 5 0 56 449.304 3
Mid Mid (pH 6-8) 4.19 8.97 -45.56 1 5 1 57 450.312 3

Activity (Go SEA)

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