UCSF

ZINC32199553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 2.28 6.27 -46.38 3 4 1 57 305.785 5
Mid Mid (pH 6-8) 2.28 5.88 -7.91 2 4 0 56 304.777 5

Activity (Go SEA)

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