UCSF

ZINC04119547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 3.10 4.26 -85.86 4 5 2 78 314.385 8
Hi High (pH 8-9.5) 3.10 3.43 -36.41 3 5 1 76 313.377 8
Hi High (pH 8-9.5) 3.10 1.06 -34.82 3 5 1 76 313.377 8
Hi High (pH 8-9.5) 3.10 2.34 -33.83 3 5 1 76 313.377 8

Activity (Go SEA)

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