UCSF

ZINC35656045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 5.35 15.47 -55.23 1 6 -1 91 501.694 16
Lo Low (pH 4.5-6) 5.35 13.5 -16.54 2 6 0 88 502.702 16

Activity (Go SEA)

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