UCSF

ZINC08690454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 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) 4.29 -1.74 -10.86 1 4 0 59 318.442 5
Hi High (pH 8-9.5) 4.29 -1.17 -45.43 0 4 -1 61 317.434 5
Lo Low (pH 4.5-6) 4.29 -1.48 -32.83 2 4 1 60 319.45 5

Activity (Go SEA)

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