UCSF

ZINC20026941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 24 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) 0.53 4.17 -74.72 3 6 0 97 352.818 8
Hi High (pH 8-9.5) 0.53 2.68 -58.31 2 6 -1 93 351.81 8

Activity (Go SEA)

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