UCSF

ZINC37843086

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.93 4.01 -37.64 0 4 -1 57 330.735 7
Mid Mid (pH 6-8) 2.93 3.97 -10.38 1 4 0 55 331.743 7

Activity (Go SEA)

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