UCSF

ZINC35681050

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 1.57 6.68 -49.57 2 5 1 55 285.371 3
Hi High (pH 8-9.5) 1.57 5.38 -8.02 1 5 0 50 284.363 3
Mid Mid (pH 6-8) 1.57 7.02 -90.76 3 5 2 56 286.379 3

Activity (Go SEA)

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