UCSF

ZINC37841922

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) -0.14 2.25 -10.13 1 6 0 61 278.356 3
Mid Mid (pH 6-8) -0.14 4.25 -48.1 2 6 1 63 279.364 3

Activity (Go SEA)

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