UCSF

ZINC43239145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.16 5.98 -34.41 3 2 1 31 267.462 4
Hi High (pH 8-9.5) 3.16 7.43 -30.79 3 2 1 30 267.462 4
Hi High (pH 8-9.5) 3.16 5.26 -1.8 2 2 0 29 266.454 4
Lo Low (pH 4.5-6) 3.16 7.72 -110.72 4 2 2 32 268.47 4

Activity (Go SEA)

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