UCSF

ZINC34338927

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.18 13.29 -38.72 1 3 1 25 365.472 7
Hi High (pH 8-9.5) 5.18 11.73 -7.72 0 3 0 24 364.464 7

Activity (Go SEA)

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