UCSF

ZINC51809599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 26 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) 2.00 10.93 -8.91 1 7 0 80 373.844 6
Hi High (pH 8-9.5) 2.18 11.17 -42.44 0 7 -1 86 372.836 6

Activity (Go SEA)

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