UCSF

ZINC37841084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.41 0.55 -17.45 2 7 0 81 279.344 5
Mid Mid (pH 6-8) -0.41 2.69 -53.84 3 7 1 83 280.352 5

Activity (Go SEA)

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