UCSF

ZINC35038647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.46 8.02 -37.41 1 3 1 25 279.379 6
Hi High (pH 8-9.5) 2.46 5.75 -7.65 0 3 0 24 278.371 6
Mid Mid (pH 6-8) 2.46 8.01 -42.42 1 3 1 25 279.379 6

Activity (Go SEA)

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