UCSF

ZINC42467804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.74 2.7 -45.69 3 4 1 53 239.339 6
Hi High (pH 8-9.5) 0.74 2.51 -4.58 2 4 0 52 238.331 6
Mid Mid (pH 6-8) 0.74 4.4 -25.86 3 4 1 53 239.339 6

Activity (Go SEA)

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