UCSF

ZINC57991194

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 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) 2.58 7.76 -48.65 2 5 1 59 379.406 5
Hi High (pH 8-9.5) 2.58 5.51 -9.54 1 5 0 58 378.398 5
Mid Mid (pH 6-8) 3.23 6.71 -16.78 2 7 0 93 366.402 5

Activity (Go SEA)

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