UCSF

ZINC34942156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 5.36 12.67 -66.19 1 6 0 74 505.442 11
Lo Low (pH 4.5-6) 5.36 11.91 -50.16 2 6 1 71 506.45 11

Activity (Go SEA)

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