UCSF

ZINC36987120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.98 7.27 -35.22 4 3 1 55 282.411 7
Mid Mid (pH 6-8) -0.31 8.67 -29.55 5 3 1 56 282.411 7

Activity (Go SEA)

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