UCSF

ZINC04060870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 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) 4.03 -1 -9.54 0 7 0 83 492.366 6
Mid Mid (pH 6-8) 4.03 -0.64 -12.31 0 7 0 83 492.366 6
Mid Mid (pH 6-8) 4.21 0.3 -10.86 0 7 0 83 492.366 6
Mid Mid (pH 6-8) 4.21 -0.48 -10.57 0 7 0 83 492.366 6

Activity (Go SEA)

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