UCSF

ZINC35707322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 39 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) 3.49 8.73 -16.06 2 9 0 92 530.625 10
Mid Mid (pH 6-8) 3.49 10.96 -42.18 3 9 1 94 531.633 10

Activity (Go SEA)

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