UCSF

ZINC34577419

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 3.87 10.08 -44.78 3 6 1 58 402.522 6
Hi High (pH 8-9.5) 3.87 8.81 -48.72 3 6 1 61 402.522 6
Hi High (pH 8-9.5) 3.87 7.68 -9.48 2 6 0 56 401.514 6
Lo Low (pH 4.5-6) 3.87 10.87 -102.03 4 6 2 59 403.53 6

Activity (Go SEA)

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