UCSF

ZINC45697228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.82 7.93 -74.64 1 5 0 57 294.395 10
Hi High (pH 8-9.5) 2.82 5.46 -52.83 0 5 -1 56 293.387 10
Lo Low (pH 4.5-6) 2.82 10.12 -133.4 2 5 1 58 295.403 10

Activity (Go SEA)

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