UCSF

ZINC03538867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.41 2.51 -44.29 4 6 1 94 326.442 4
Hi High (pH 8-9.5) 1.59 0.79 -29.21 3 6 0 100 325.434 4
Hi High (pH 8-9.5) 1.59 -1.24 -43.71 2 6 -1 99 324.426 4

Activity (Go SEA)

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