UCSF

ZINC36647119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 0.34 -1.88 -17.98 1 9 0 105 407.514 8
Mid Mid (pH 6-8) 0.34 0.48 -58.37 2 9 1 106 408.522 8

Activity (Go SEA)

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