UCSF

ZINC40144612

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 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) 6.95 16.19 -14.72 1 5 0 79 502.595 7
Hi High (pH 8-9.5) 7.13 14.61 -52.97 0 5 -1 86 501.587 7

Activity (Go SEA)

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