UCSF

ZINC39855990

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) 1.77 6.04 -37.13 6 8 1 131 355.422 4
Hi High (pH 8-9.5) 1.77 6.02 -16.01 5 8 0 129 354.414 4

Activity (Go SEA)

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