UCSF

ZINC29962473

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 33 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) 4.14 5.59 -45.25 2 8 1 85 468.603 8
Mid Mid (pH 6-8) 4.14 3.22 -13.76 1 8 0 84 467.595 8

Activity (Go SEA)

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