UCSF

ZINC06922359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 25 No

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) 4.81 6.44 -9.91 2 5 0 75 354.431 3
Ref Reference (pH 7) 4.81 6.76 -10.16 2 5 0 75 354.431 3
Hi High (pH 8-9.5) 5.26 4.43 -48.35 1 5 -1 78 353.423 3
Hi High (pH 8-9.5) 5.26 4.94 -48.1 1 5 -1 78 353.423 3
Mid Mid (pH 6-8) 4.32 6.71 -45.65 1 5 -1 74 353.423 4
Lo Low (pH 4.5-6) 4.32 6.98 -15.63 2 5 0 71 354.431 4

Activity (Go SEA)

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