UCSF

ZINC42916006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.43 8.48 -104.27 4 3 2 47 259.397 5
Hi High (pH 8-9.5) 2.43 7.65 -5.81 2 3 0 44 257.381 5
Mid Mid (pH 6-8) 2.43 7.98 -48.11 3 3 1 45 258.389 5

Activity (Go SEA)

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