UCSF

ZINC33605813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 14 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) 0.70 0.59 -88.28 6 3 2 56 201.358 3
Mid Mid (pH 6-8) 0.70 0.88 -122.02 6 3 2 56 201.358 3
Mid Mid (pH 6-8) 0.70 1.9 -195.43 7 3 3 61 202.366 3

Activity (Go SEA)

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