UCSF

ZINC41194257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 24 No

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) 3.00 6.86 -7.6 2 5 0 61 345.83 6
Hi High (pH 8-9.5) 3.19 6.14 -46.21 1 5 -1 68 344.822 6

Activity (Go SEA)

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