UCSF

ZINC43262751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.70 3.26 -31.08 4 3 1 51 320.276 6
Hi High (pH 8-9.5) 1.70 1.01 -4.44 3 3 0 49 319.268 6
Mid Mid (pH 6-8) 1.70 1.3 -49.98 4 3 1 51 320.276 6
Lo Low (pH 4.5-6) 1.70 3.54 -106.81 5 3 2 52 321.284 6

Activity (Go SEA)

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