UCSF

ZINC22218098

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 3.12 5.99 -39.12 3 3 1 34 288.337 4
Mid Mid (pH 6-8) 3.12 3.61 -4.31 2 3 0 32 287.329 4

Activity (Go SEA)

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