UCSF

ZINC09424018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 37 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) 3.87 11.05 -48.09 2 8 1 90 509.623 12
Mid Mid (pH 6-8) 3.29 0.33 -57.51 1 8 1 86 509.623 12

Activity (Go SEA)

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