UCSF

ZINC43248502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 0.76 3.62 -45.64 3 4 1 51 282.433 5
Hi High (pH 8-9.5) 0.76 3.28 -7.02 2 4 0 50 281.425 5
Lo Low (pH 4.5-6) 0.76 5.61 -115.93 4 4 2 52 283.441 5

Activity (Go SEA)

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