UCSF

ZINC43425032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.04 -0.13 -3.23 2 4 0 48 226.32 1
Lo Low (pH 4.5-6) 0.04 1.81 -31.99 3 4 1 49 227.328 1
Lo Low (pH 4.5-6) 0.04 2.21 -119.13 4 4 2 51 228.336 1

Activity (Go SEA)

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