UCSF

ZINC27857602

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 26 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) -2.03 -0.25 -28.23 5 10 0 150 362.39 6
Mid Mid (pH 6-8) -2.03 0.2 -52.62 6 10 1 152 363.398 6

Activity (Go SEA)

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