UCSF

ZINC09019443

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 34 No

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) 3.30 -0.81 -52.93 2 7 1 74 485.004 8
Mid Mid (pH 6-8) 2.72 -0.98 -61.9 1 7 1 71 485.004 8

Activity (Go SEA)

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