UCSF

ZINC36618857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

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) 4.99 6.89 -7.56 3 6 0 97 441.318 3
Mid Mid (pH 6-8) 4.99 6.01 -6.63 3 6 0 97 441.318 3
Lo Low (pH 4.5-6) 4.99 6.44 -48.12 4 6 1 99 442.326 3

Activity (Go SEA)

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