UCSF

ZINC34669997

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) 1.55 5.26 -48.81 3 6 1 71 313.381 4
Hi High (pH 8-9.5) 1.55 3.98 -10.63 2 6 0 66 312.373 4
Lo Low (pH 4.5-6) 1.55 5.61 -103.19 4 6 2 72 314.389 4

Activity (Go SEA)

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