UCSF

ZINC35340577

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 2.29 6.09 -38.98 4 4 1 55 271.388 4
Hi High (pH 8-9.5) 2.29 3.95 -5.83 3 4 0 54 270.38 4
Mid Mid (pH 6-8) 2.29 6.58 -80.9 5 4 2 57 272.396 4

Activity (Go SEA)

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