UCSF

ZINC19412665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 0.97 3.97 -88.69 4 4 2 50 243.395 6
Hi High (pH 8-9.5) 0.97 1.96 -38.99 3 4 1 49 242.387 6
Hi High (pH 8-9.5) 0.97 2.61 -38.51 3 4 1 46 242.387 6
Hi High (pH 8-9.5) 0.97 0.6 -7.83 2 4 0 44 241.379 6

Activity (Go SEA)

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