UCSF

ZINC43910935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.60 8.13 -43.17 2 2 1 20 287.402 6
Hi High (pH 8-9.5) 3.60 7.02 -3.74 1 2 0 15 286.394 6
Lo Low (pH 4.5-6) 3.60 10.19 -119.05 3 2 2 21 288.41 6

Activity (Go SEA)

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