UCSF

ZINC52754156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 23 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) 3.48 9.92 -12.26 0 5 0 49 318.465 6
Mid Mid (pH 6-8) 3.48 10.4 -35.14 1 5 1 51 319.473 6

Activity (Go SEA)

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