UCSF

ZINC45664198

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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
Hi High (pH 8-9.5) 1.79 5.96 -32.95 3 3 1 34 250.41 8
Hi High (pH 8-9.5) 1.79 5.04 -30.65 3 3 1 34 250.41 8
Hi High (pH 8-9.5) 1.79 3.72 -43.65 3 3 1 34 250.41 8
Mid Mid (pH 6-8) 1.79 6.2 -90.38 4 3 2 35 251.418 8
Lo Low (pH 4.5-6) 1.79 7.83 -200.32 5 3 3 37 252.426 8

Activity (Go SEA)

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