UCSF

ZINC04171486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 27 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) 4.41 10.38 -21.14 1 4 0 62 366.505 7
Mid Mid (pH 6-8) 4.99 0.44 -34.72 3 4 1 67 367.513 6
Mid Mid (pH 6-8) 4.41 -0.13 -38.45 2 4 1 63 367.513 7

Activity (Go SEA)

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