UCSF

ZINC37802597

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -1.98 -4.99 -49.85 5 8 1 128 279.342 4
Hi High (pH 8-9.5) -1.98 -5.32 -18.44 4 8 0 127 278.334 4

Activity (Go SEA)

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