UCSF

ZINC34667921

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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 7.58 -43.63 3 7 1 73 442.559 7
Mid Mid (pH 6-8) 2.55 9.75 -113.41 4 7 2 74 443.567 7
Lo Low (pH 4.5-6) 2.55 10.1 -188.17 5 7 3 76 444.575 7

Activity (Go SEA)

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