UCSF

ZINC32207749

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.67 8.86 -46.81 2 5 1 69 308.409 3
Hi High (pH 8-9.5) 3.67 7.45 -6.73 1 5 0 65 307.401 3

Activity (Go SEA)

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