UCSF

ZINC36771425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.99 6.6 -10.73 0 3 0 33 226.279 4
Lo Low (pH 4.5-6) 1.99 7.07 -42.89 1 3 1 34 227.287 4

Activity (Go SEA)

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