UCSF

ZINC30579646

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 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) 1.35 6.43 -24.35 1 5 0 62 289.36 4
Hi High (pH 8-9.5) 1.17 5.36 -54.92 0 5 -1 69 288.352 4

Activity (Go SEA)

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