UCSF

ZINC45651373

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.20 3.22 -35.93 3 4 1 46 228.36 5
Hi High (pH 8-9.5) 1.20 0.83 -7.01 2 4 0 44 227.352 5
Lo Low (pH 4.5-6) 1.20 1.99 -40.65 3 4 1 49 228.36 5

Activity (Go SEA)

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