UCSF

ZINC16945329

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 16 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) 2.79 6.23 -114.47 3 2 2 21 224.323 2
Hi High (pH 8-9.5) 2.79 5.12 -2.67 1 2 0 15 222.307 2
Mid Mid (pH 6-8) 2.79 6.33 -43.29 2 2 1 20 223.315 2

Activity (Go SEA)

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