UCSF

ZINC39745539

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 32 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) 4.50 9.91 -20.76 2 7 0 93 444.516 7
Hi High (pH 8-9.5) 4.57 8.24 -58.1 1 7 -1 100 443.508 7

Activity (Go SEA)

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