UCSF

ZINC32087978

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 25 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) 2.98 2.01 -19.08 2 7 0 102 404.897 6
Mid Mid (pH 6-8) 2.98 2.08 -44.19 1 7 -1 104 403.889 6

Activity (Go SEA)

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