UCSF

ZINC49282740

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 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) 1.99 4.4 -42.99 2 4 1 51 287.38 4
Hi High (pH 8-9.5) 1.99 2.04 -7.64 1 4 0 49 286.372 4

Activity (Go SEA)

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