UCSF

ZINC34864276

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 4.36 10.47 -17.92 2 6 0 84 428.517 7
Hi High (pH 8-9.5) 4.55 8.82 -48.39 1 6 -1 90 427.509 7

Activity (Go SEA)

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