UCSF

ZINC42462831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.86 7.95 -84.18 2 3 2 22 269.82 3
Hi High (pH 8-9.5) 2.86 5.46 -4.69 0 3 0 19 267.804 3
Mid Mid (pH 6-8) 2.86 7.52 -38.6 1 3 1 21 268.812 3
Mid Mid (pH 6-8) 2.86 5.89 -29.94 1 3 1 21 268.812 3

Activity (Go SEA)

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