UCSF

ZINC22726595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 19 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) 4.27 6.24 -6.53 1 3 0 42 255.317 3
Hi High (pH 8-9.5) 4.27 7 -48.08 0 3 -1 45 254.309 3
Lo Low (pH 4.5-6) 4.27 6.66 -28.49 2 3 1 43 256.325 3

Activity (Go SEA)

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