UCSF

ZINC39965507

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 34 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) 5.12 12.17 -15.76 1 8 0 91 493.614 7
Hi High (pH 8-9.5) 5.30 10.74 -47.3 0 8 -1 97 492.606 7

Activity (Go SEA)

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