UCSF

ZINC42451730

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) 2.12 -0.72 -2.66 0 5 0 62 198.27 4
Mid Mid (pH 6-8) 2.12 1.44 -37.21 1 5 1 63 199.278 4

Activity (Go SEA)

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