UCSF

ZINC69924331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 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) 0.16 1.79 -52.7 4 7 1 97 333.478 5
Hi High (pH 8-9.5) 0.16 -0.39 -16.9 3 7 0 96 332.47 5
Hi High (pH 8-9.5) 0.16 1.42 -48.69 3 7 0 99 332.47 5
Hi High (pH 8-9.5) 0.16 -0.76 -43.79 2 7 -1 98 331.462 5

Activity (Go SEA)

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