UCSF

ZINC45229820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 26 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) 4.36 9.68 -69.72 3 4 2 34 350.51 6
Hi High (pH 8-9.5) 4.36 7.42 -23.67 2 4 1 33 349.502 6
Mid Mid (pH 6-8) 4.36 9.69 -84.56 3 4 2 34 350.51 6

Activity (Go SEA)

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