UCSF

ZINC16213118

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 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) 4.69 11.64 -41.29 0 6 -1 79 476.936 9
Mid Mid (pH 6-8) 5.14 10.04 -26.82 1 6 0 76 477.944 8
Mid Mid (pH 6-8) 4.11 11.03 -20.75 0 6 0 73 477.944 9

Activity (Go SEA)

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