UCSF

ZINC12032391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 26 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) 4.37 5.55 -13.4 2 6 0 84 370.43 5
Hi High (pH 8-9.5) 4.82 3.78 -51.97 1 6 -1 87 369.422 5

Activity (Go SEA)

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