UCSF

ZINC35241369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 23 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) 0.96 3.43 -45.49 2 7 -1 120 350.353 1
Hi High (pH 8-9.5) 1.41 2.14 -167.33 0 7 -3 125 348.337 1
Mid Mid (pH 6-8) 1.41 1.39 -108.33 1 7 -2 123 349.345 1

Activity (Go SEA)

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