UCSF

ZINC42392292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 0.67 5.53 -74.75 4 4 2 38 282.476 4
Hi High (pH 8-9.5) 0.67 3.3 -99.11 4 4 2 39 282.476 4
Mid Mid (pH 6-8) 0.67 6.38 -173.76 5 4 3 39 283.484 4
Mid Mid (pH 6-8) 0.67 5.16 -200.43 5 4 3 40 283.484 4
Mid Mid (pH 6-8) 0.67 5.74 -174.5 5 4 3 40 283.484 4
Lo Low (pH 4.5-6) 0.67 7.39 -316.75 6 4 4 41 284.492 4

Activity (Go SEA)

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