UCSF

ZINC36159914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.51 2.37 -59.99 3 4 1 65 303.492 3
Lo Low (pH 4.5-6) 1.51 3.69 -132.49 4 4 2 66 304.5 3

Activity (Go SEA)

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