UCSF

ZINC34850197

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 No

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) 3.95 17.25 -66.16 3 6 0 103 506.602 11
Hi High (pH 8-9.5) 3.95 16.11 -70.92 2 6 -1 98 505.594 11

Activity (Go SEA)

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