UCSF

ZINC35746064

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 35 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) 4.17 9.44 -17.11 1 8 0 97 515.657 9
Hi High (pH 8-9.5) 4.17 9.45 -55.25 0 8 -1 99 514.649 9
Mid Mid (pH 6-8) 4.17 9.86 -38.73 2 8 1 99 516.665 9

Activity (Go SEA)

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