UCSF

ZINC49068529

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 24 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) -1.64 2.47 -66.18 6 8 0 147 330.344 4
Hi High (pH 8-9.5) -1.64 2.14 -65.65 5 8 -1 145 329.336 4

Activity (Go SEA)

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