UCSF

ZINC32107109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 22 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) -1.58 -3 -55.49 6 7 1 116 311.358 5
Mid Mid (pH 6-8) -1.58 -3.31 -16.57 5 7 0 114 310.35 5

Activity (Go SEA)

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