UCSF

ZINC34664269

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) 4.00 8.63 -36.46 2 2 1 26 242.342 4
Hi High (pH 8-9.5) 4.00 7.17 -3.99 1 2 0 21 241.334 4

Activity (Go SEA)

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