UCSF

ZINC34654409

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 1.83 5.85 -45.81 3 3 1 44 242.346 5
Lo Low (pH 4.5-6) 1.83 6.51 -87.35 4 3 2 45 243.354 5

Activity (Go SEA)

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