UCSF

ZINC00902293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 3.15 7.72 -49.47 2 6 1 71 380.534 5
Hi High (pH 8-9.5) 2.97 6.86 -36.64 1 6 0 77 379.526 5
Hi High (pH 8-9.5) 2.97 4.58 -45.4 0 6 -1 76 378.518 5

Activity (Go SEA)

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