UCSF

ZINC43263003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.02 6.16 -52.61 3 4 1 51 375.356 4
Hi High (pH 8-9.5) 2.02 5.37 -8.22 2 4 0 50 374.348 4
Mid Mid (pH 6-8) 2.02 7.2 -43.75 3 4 1 51 375.356 4
Lo Low (pH 4.5-6) 2.02 7.5 -130.64 4 4 2 52 376.364 4

Activity (Go SEA)

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