UCSF

ZINC43992887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 2.90 10.76 -112.46 3 3 2 36 267.376 5
Hi High (pH 8-9.5) 2.90 9.45 -6.48 1 3 0 30 265.36 5
Mid Mid (pH 6-8) 2.90 10.25 -44.97 2 3 1 34 266.368 5

Activity (Go SEA)

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