UCSF

ZINC41547195

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 3.18 7.97 -11.28 2 6 0 91 369.446 3
Hi High (pH 8-9.5) 3.36 5.16 -48.89 1 6 -1 98 368.438 3

Activity (Go SEA)

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