UCSF

ZINC30984444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 31 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) 3.51 6.96 -28.37 4 7 0 110 432.505 7
Hi High (pH 8-9.5) 3.58 6.04 -66.14 3 7 -1 116 431.497 7

Activity (Go SEA)

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