UCSF

ZINC43248344

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) 4.10 7.55 -38.11 3 2 1 31 368.364 6
Hi High (pH 8-9.5) 4.10 7.53 -3.42 2 2 0 29 367.356 6
Mid Mid (pH 6-8) 4.10 9.32 -29.88 3 2 1 30 368.364 6
Mid Mid (pH 6-8) 4.10 9.65 -111.55 4 2 2 32 369.372 6

Activity (Go SEA)

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