UCSF

ZINC42392296

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 5.71 -77.38 4 4 2 38 282.476 4
Hi High (pH 8-9.5) 0.67 3.23 -99.42 4 4 2 39 282.476 4
Mid Mid (pH 6-8) 0.67 7.46 -168.86 5 4 3 39 283.484 4
Mid Mid (pH 6-8) 0.67 5.65 -169.61 5 4 3 40 283.484 4
Mid Mid (pH 6-8) 0.67 5.19 -190.41 5 4 3 40 283.484 4
Lo Low (pH 4.5-6) 0.67 7.61 -309.59 6 4 4 41 284.492 4

Activity (Go SEA)

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