UCSF

ZINC05286893

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 25 No

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) 3.13 3.83 -13.77 1 6 0 79 360.435 5
Hi High (pH 8-9.5) 3.13 4.6 -54.59 0 6 -1 82 359.427 5
Lo Low (pH 4.5-6) 3.13 4.32 -12.77 2 6 0 81 361.443 5

Activity (Go SEA)

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