UCSF

ZINC34683232

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) 4.94 11.23 -55.34 2 6 1 63 461.582 7
Hi High (pH 8-9.5) 4.94 9.31 -12.74 1 6 0 62 460.574 7

Activity (Go SEA)

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