UCSF

ZINC20519665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 2.97 7.97 -61.11 0 4 -1 62 256.281 6
Lo Low (pH 4.5-6) 2.97 8.4 -76.38 1 4 0 63 257.289 6

Activity (Go SEA)

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