UCSF

ZINC36328203

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.82 8.37 -131.83 4 2 2 32 282.859 4
Hi High (pH 8-9.5) 3.82 6.96 -34.76 3 2 1 30 281.851 4
Mid Mid (pH 6-8) 3.82 6.42 -49.51 3 2 1 31 281.851 4

Activity (Go SEA)

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