UCSF

ZINC20857758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 21 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) 2.19 5.63 -54 3 6 1 73 287.343 4
Mid Mid (pH 6-8) 2.19 4.19 -9.63 2 6 0 68 286.335 4

Activity (Go SEA)

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