UCSF

ZINC00740856

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 5.04 12.79 -19.32 1 6 0 72 457.983 9
Hi High (pH 8-9.5) 4.86 11.73 -50.36 0 6 -1 78 456.975 9

Activity (Go SEA)

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