UCSF

ZINC43248050

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) 1.97 5.75 -93.32 4 3 2 35 283.485 4
Hi High (pH 8-9.5) 1.97 3.16 -1.63 2 3 0 32 281.469 4
Mid Mid (pH 6-8) 1.97 3.53 -41.35 3 3 1 34 282.477 4

Activity (Go SEA)

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