UCSF

ZINC37827002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.25 6.1 -41.91 3 4 1 51 280.779 2
Mid Mid (pH 6-8) 1.25 3.91 -6.96 2 4 0 50 279.771 2

Activity (Go SEA)

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