UCSF

ZINC32095611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 28 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) 3.36 5.87 -16.82 1 8 0 100 474.329 10
Mid Mid (pH 6-8) 3.36 5.94 -48.22 0 8 -1 102 473.321 10

Activity (Go SEA)

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