UCSF

ZINC20396126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 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) 0.95 3.62 -61.99 1 6 -1 95 260.32 6
Hi High (pH 8-9.5) 1.13 2.56 -97.36 0 6 -2 101 259.312 6

Activity (Go SEA)

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