UCSF

ZINC37846422

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) 2.06 8.35 -41.44 1 3 1 25 328.205 2
Mid Mid (pH 6-8) 2.06 5.98 -8.16 0 3 0 24 327.197 2

Activity (Go SEA)

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