UCSF

ZINC39856004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.84 7.79 -36.23 6 7 1 118 354.434 4
Hi High (pH 8-9.5) 2.84 7.85 -15.01 5 7 0 117 353.426 4

Activity (Go SEA)

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