UCSF

ZINC19679552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) -1.91 -1.82 -64.53 4 6 1 81 258.342 4
Hi High (pH 8-9.5) -1.91 -2.21 -13.8 3 6 0 79 257.334 4
Lo Low (pH 4.5-6) -1.91 0.49 -128.53 5 6 2 82 259.35 4

Activity (Go SEA)

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