UCSF

ZINC43897374

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.64 3.34 -113.07 3 4 2 34 243.395 3
Hi High (pH 8-9.5) 0.64 3.04 -35.03 2 4 1 29 242.387 3
Mid Mid (pH 6-8) 0.64 2.37 -33.47 2 4 1 29 242.387 3
Lo Low (pH 4.5-6) 0.64 5.78 -196.91 4 4 3 35 244.403 3
Lo Low (pH 4.5-6) 0.64 3.87 -87.8 3 4 2 34 243.395 3

Activity (Go SEA)

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