UCSF

ZINC49506523

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 34 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) 5.56 8.24 -16.53 1 7 0 93 500.642 8
Mid Mid (pH 6-8) 5.56 8.36 -58.39 0 7 -1 95 499.634 8

Activity (Go SEA)

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