UCSF

ZINC35746070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 33 No

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) 3.98 7.94 -17.59 1 8 0 97 487.603 7
Hi High (pH 8-9.5) 3.98 7.99 -53.05 0 8 -1 99 486.595 7
Mid Mid (pH 6-8) 3.98 8.37 -39.83 2 8 1 99 488.611 7

Activity (Go SEA)

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