UCSF

ZINC34948514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 6.05 12.99 -11.8 0 5 0 42 466.666 14
Mid Mid (pH 6-8) 6.05 15.26 -58.81 1 5 1 43 467.674 14

Activity (Go SEA)

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