UCSF

ZINC00390447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 25 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) 2.93 4.72 -10.54 1 7 0 94 347.367 6
Mid Mid (pH 6-8) 3.11 4.44 -9.45 1 7 0 94 347.367 6
Mid Mid (pH 6-8) 3.11 5.3 -21.82 1 7 0 94 347.367 6

Activity (Go SEA)

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