UCSF

ZINC00261449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2005 23 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) 2.42 8.24 -13.71 3 5 0 69 324.409 4
Hi High (pH 8-9.5) 2.87 6.43 -47.14 2 5 -1 72 323.401 4

Activity (Go SEA)

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