UCSF

ZINC36270902

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 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) 2.01 6.61 -29.7 3 6 1 74 317.413 5
Mid Mid (pH 6-8) 2.01 8.41 -50.06 3 6 1 74 317.413 5
Mid Mid (pH 6-8) 2.01 6.17 -13.3 2 6 0 73 316.405 5
Lo Low (pH 4.5-6) 2.01 8.85 -99.86 4 6 2 75 318.421 5

Activity (Go SEA)

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