UCSF

ZINC34937788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 1.31 6.13 -105.88 3 3 2 36 183.299 5
Hi High (pH 8-9.5) 1.31 4.31 -5.66 1 3 0 30 181.283 5
Mid Mid (pH 6-8) 1.31 5.68 -41.99 2 3 1 34 182.291 5

Activity (Go SEA)

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