UCSF

ZINC11786555

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 31 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) 4.16 0.38 -16.16 0 6 0 60 420.557 6
Lo Low (pH 4.5-6) 4.16 0.64 -42.38 1 6 1 62 421.565 6

Activity (Go SEA)

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