UCSF

ZINC34669985

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 2.72 7.89 -46.52 3 5 1 62 341.479 3
Hi High (pH 8-9.5) 2.72 6.59 -8.84 2 5 0 57 340.471 3
Lo Low (pH 4.5-6) 2.72 8.21 -101.32 4 5 2 63 342.487 3

Activity (Go SEA)

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