UCSF

ZINC20342940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 2.86 6.84 -84.99 2 5 0 74 264.325 7
Hi High (pH 8-9.5) 2.86 4.5 -59.77 1 5 -1 72 263.317 7

Activity (Go SEA)

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