UCSF

ZINC42771733

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) -0.17 5.08 -30.35 1 4 0 48 202.298 7
Mid Mid (pH 6-8) -0.17 6.02 -58.76 1 4 0 48 202.298 7
Lo Low (pH 4.5-6) -0.17 7.57 -85.33 2 4 1 49 203.306 7

Activity (Go SEA)

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