UCSF

ZINC34577834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 4.23 6.18 -8.81 1 5 0 72 391.411 8
Hi High (pH 8-9.5) 4.23 7.16 -45.04 0 5 -1 75 390.403 8

Activity (Go SEA)

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