UCSF

ZINC32195180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 32 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) 3.92 5.95 -14.03 1 7 0 80 434.54 5
Mid Mid (pH 6-8) 3.92 8.15 -62.75 2 7 1 82 435.548 5

Activity (Go SEA)

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