UCSF

ZINC36642315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 5.72 16.26 -59.61 1 9 1 96 526.683 11
Hi High (pH 8-9.5) 5.72 14.16 -13.8 0 9 0 95 525.675 11

Activity (Go SEA)

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