UCSF

ZINC66534369

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2011 28 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) 2.14 6.21 -44.21 3 5 1 54 385.507 8
Hi High (pH 8-9.5) 2.14 3.88 -9.62 2 5 0 53 384.499 8

Activity (Go SEA)

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