UCSF

ZINC32238776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.86 8.99 -45.2 0 5 -1 61 364.45 2
Mid Mid (pH 6-8) 2.40 10.29 -16.97 1 5 0 58 365.458 2

Activity (Go SEA)

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