UCSF

ZINC43261610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 4.15 6.57 -43.97 3 2 1 31 334.347 7
Hi High (pH 8-9.5) 4.15 6.27 -1.23 2 2 0 29 333.339 7
Mid Mid (pH 6-8) 4.15 8.05 -36.03 3 2 1 30 334.347 7
Mid Mid (pH 6-8) 4.15 8.35 -119.82 4 2 2 32 335.355 7

Activity (Go SEA)

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