UCSF

ZINC19900914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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 5.81 -44.41 2 3 1 29 265.421 8
Mid Mid (pH 6-8) 2.93 6.47 -32.9 2 3 1 26 265.421 8
Lo Low (pH 4.5-6) 2.93 7.89 -116.92 3 3 2 30 266.429 8

Activity (Go SEA)

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