UCSF

ZINC36708053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 25 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) 2.40 7.71 -15.9 2 6 0 70 359.861 6
Lo Low (pH 4.5-6) 2.40 8.15 -36.78 3 6 1 71 360.869 6

Activity (Go SEA)

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