UCSF

ZINC19108175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 23 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) 1.62 0 -18.86 1 7 0 106 369.449 4
Hi High (pH 8-9.5) 1.62 0.11 -51.13 0 7 -1 108 368.441 4

Activity (Go SEA)

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