UCSF

ZINC45191635

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 35 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) 4.66 13.68 -49.73 2 5 1 50 466.605 8
Mid Mid (pH 6-8) 4.66 11.43 -9.49 1 5 0 49 465.597 8
Mid Mid (pH 6-8) 4.66 13.29 -41.63 2 5 1 50 466.605 8

Activity (Go SEA)

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