UCSF

ZINC34682815

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.99 12.4 -37.31 1 6 1 52 461.582 8
Hi High (pH 8-9.5) 4.99 10.14 -11.74 0 6 0 51 460.574 8

Activity (Go SEA)

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