UCSF

ZINC32071793

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) -1.62 6.37 -76.67 1 7 0 83 316.398 11
Mid Mid (pH 6-8) -1.62 4.06 -65.06 0 7 -1 82 315.39 11

Activity (Go SEA)

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