UCSF

ZINC09354948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 33 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) 2.64 9.44 -56.06 2 9 1 117 452.487 7
Mid Mid (pH 6-8) 2.05 -0.45 -65.18 1 9 1 113 452.487 7

Activity (Go SEA)

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