UCSF

ZINC36156707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 Yes

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) 2.22 6.66 -51.72 3 6 1 80 380.534 8
Hi High (pH 8-9.5) 2.67 3.95 -49.04 2 6 0 83 379.526 8
Hi High (pH 8-9.5) 2.22 4.68 -14.71 2 6 0 78 379.526 8

Activity (Go SEA)

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