UCSF

ZINC37111234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.37 4.44 -106.61 4 3 2 35 241.423 5
Hi High (pH 8-9.5) 1.37 2.02 -41.25 3 3 1 34 240.415 5
Hi High (pH 8-9.5) 1.37 3.79 -32.19 3 3 1 34 240.415 5
Mid Mid (pH 6-8) 1.37 3.37 -113.72 4 3 2 35 241.423 5
Lo Low (pH 4.5-6) 1.37 6.17 -93.03 4 3 2 35 241.423 5
Lo Low (pH 4.5-6) 1.37 5.79 -211.59 5 3 3 37 242.431 5

Activity (Go SEA)

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