UCSF

ZINC59600686

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 22 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) 4.00 7.74 -40.24 3 2 1 31 295.45 4
Hi High (pH 8-9.5) 4.00 7.48 -2.5 2 2 0 29 294.442 4
Lo Low (pH 4.5-6) 4.00 9.42 -33.26 3 2 1 30 295.45 4
Lo Low (pH 4.5-6) 4.00 9.6 -117.52 4 2 2 32 296.458 4

Activity (Go SEA)

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