UCSF

ZINC32077789

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) 0.52 1.98 -46.15 3 6 1 68 313.418 11
Lo Low (pH 4.5-6) 0.52 3.91 -117.05 4 6 2 69 314.426 11

Activity (Go SEA)

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