UCSF

ZINC35498702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 Yes

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) 4.72 13.55 -49.8 2 5 1 56 419.561 14
Hi High (pH 8-9.5) 4.72 11.09 -9.44 1 5 0 55 418.553 14

Activity (Go SEA)

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