UCSF

ZINC36717768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 30 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) 5.36 15.59 -59.24 1 4 1 38 463.092 9
Hi High (pH 8-9.5) 5.36 13.12 -14.1 0 4 0 36 462.084 9

Activity (Go SEA)

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