UCSF

ZINC32118309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 2.55 4.42 -6.05 2 3 0 45 270.376 5
Mid Mid (pH 6-8) 2.55 5.92 -47.4 3 3 1 50 271.384 5
Lo Low (pH 4.5-6) 2.55 6.3 -126.64 4 3 2 51 272.392 5

Activity (Go SEA)

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