UCSF

ZINC30280294

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 23 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) 1.54 7.96 -43.31 2 5 1 54 322.473 4
Hi High (pH 8-9.5) 1.54 5.78 -14.95 1 5 0 53 321.465 4

Activity (Go SEA)

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