UCSF

ZINC04017375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 26 Yes

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) 5.15 1.52 -6.5 0 5 0 64 398.286 7
Mid Mid (pH 6-8) 5.33 0.06 -5.31 0 5 0 64 398.286 7
Mid Mid (pH 6-8) 5.15 1.18 -6.79 0 5 0 64 398.286 7

Activity (Go SEA)

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