UCSF

ZINC45230839

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) 5.21 11.21 -40.32 2 3 1 25 350.53 6
Mid Mid (pH 6-8) 5.21 12.08 -39.37 2 3 1 21 350.53 6
Mid Mid (pH 6-8) 5.21 13.35 -123.56 3 3 2 26 351.538 6

Activity (Go SEA)

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