UCSF

ZINC37807233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 1.79 4.29 -6.16 1 3 0 32 230.377 4
Mid Mid (pH 6-8) 1.79 5.59 -38.03 2 3 1 37 231.385 4

Activity (Go SEA)

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