UCSF

ZINC33681326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 28 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) 2.59 8.75 -52.32 2 6 1 63 432.517 6
Hi High (pH 8-9.5) 2.59 6.39 -10.78 1 6 0 61 431.509 6

Activity (Go SEA)

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