UCSF

ZINC34850053

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 32 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) 1.86 13.03 -51.52 3 6 0 103 434.467 9
Hi High (pH 8-9.5) 1.86 12.08 -61.43 2 6 -1 98 433.459 9

Activity (Go SEA)

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