UCSF

ZINC31897990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 2.36 10.79 -58.35 2 8 1 94 449.626 8
Mid Mid (pH 6-8) 2.36 8.66 -26.69 1 8 0 93 448.618 8

Activity (Go SEA)

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