UCSF

ZINC44691725

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 No

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) 2.68 6.66 -36.66 2 2 1 26 252.403 5
Hi High (pH 8-9.5) 2.68 6.21 -3.56 1 2 0 21 251.395 5

Activity (Go SEA)

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