UCSF

ZINC09272578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 4.21 12.29 -58.58 2 9 1 117 482.557 11
Mid Mid (pH 6-8) 3.63 12.98 -67.57 1 9 1 114 482.557 11

Activity (Go SEA)

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