UCSF

ZINC36160975

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) 2.19 6.78 -51.18 3 6 1 80 378.518 9
Hi High (pH 8-9.5) 2.65 4.22 -43.4 2 6 0 83 377.51 9

Activity (Go SEA)

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