UCSF

ZINC04015426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 28 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) 4.46 3.1 -13.45 0 4 0 55 393.405 4
Mid Mid (pH 6-8) 4.46 3.31 -15.32 0 4 0 55 393.405 4
Mid Mid (pH 6-8) 4.64 4.39 -16.72 0 4 0 55 393.405 4
Mid Mid (pH 6-8) 4.64 3.58 -14.02 0 4 0 55 393.405 4

Activity (Go SEA)

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