UCSF

ZINC38735587

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 25 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) 3.88 10.82 -22.58 1 4 0 47 349.459 4
Lo Low (pH 4.5-6) 3.88 11.26 -36.33 2 4 1 48 350.467 4

Activity (Go SEA)

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