UCSF

ZINC17993071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 24 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) 3.91 7.82 -12.4 1 4 0 58 313.36 3
Hi High (pH 8-9.5) 4.37 6.05 -50.66 0 4 -1 61 312.352 3
Hi High (pH 8-9.5) 4.37 5.56 -54.74 0 4 -1 61 312.352 3
Lo Low (pH 4.5-6) 3.91 7.93 -46.3 2 4 1 59 314.368 3
Lo Low (pH 4.5-6) 3.91 8.28 -38.8 2 4 1 59 314.368 3

Activity (Go SEA)

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