UCSF

ZINC37226673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 0.01 -0.6 -9.5 4 5 0 91 195.222 4
Mid Mid (pH 6-8) 0.01 -0.12 -33.34 5 5 1 92 196.23 4

Activity (Go SEA)

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