UCSF

ZINC34668486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.60 10.98 -11.01 0 6 0 39 484.644 7
Mid Mid (pH 6-8) 3.60 13.2 -48.06 1 6 1 40 485.652 7
Lo Low (pH 4.5-6) 3.60 15.41 -98.78 2 6 2 42 486.66 7

Activity (Go SEA)

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