UCSF

ZINC20900892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.27 7.9 -58.98 2 5 1 63 362.519 5
Hi High (pH 8-9.5) 3.27 5.73 -18.39 1 5 0 62 361.511 5
Hi High (pH 8-9.5) 3.27 6.88 -42.94 1 5 0 65 361.511 5

Activity (Go SEA)

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