UCSF

ZINC36326218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 21 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) 1.33 5.7 -47.72 3 3 1 40 285.411 4
Hi High (pH 8-9.5) 1.33 4.96 -4.4 2 3 0 38 284.403 4
Lo Low (pH 4.5-6) 1.33 7.51 -137.98 4 3 2 41 286.419 4

Activity (Go SEA)

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