UCSF

ZINC36366141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 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) 2.94 3.8 -17.54 1 9 0 111 433.859 4
Ref Reference (pH 7) 2.75 6.55 -16.49 1 9 0 108 433.859 4

Activity (Go SEA)

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