UCSF

ZINC39856495

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.38 14.02 -20.51 1 5 0 60 464.974 9
Hi High (pH 8-9.5) 6.57 11.63 -46.63 0 5 -1 67 463.966 9

Activity (Go SEA)

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