UCSF

ZINC32748128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 18 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) 0.91 7.82 -31.9 1 4 1 39 244.318 3
Mid Mid (pH 6-8) 0.91 7.38 -17.8 0 4 0 38 243.31 3

Activity (Go SEA)

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