UCSF

ZINC36638595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 2.97 5.19 -18.16 0 5 0 67 366.508 3
Lo Low (pH 4.5-6) 2.97 6.54 -41.37 1 5 1 68 367.516 3

Activity (Go SEA)

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