UCSF

ZINC00971832

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 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) 3.56 7.49 -8.82 2 5 0 74 359.838 4
Hi High (pH 8-9.5) 3.56 8.26 -45.73 1 5 -1 77 358.83 4
Mid Mid (pH 6-8) 2.83 8.31 -28.02 2 5 0 71 359.838 5

Activity (Go SEA)

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