UCSF

ZINC20189106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.86 6.48 -33.59 2 3 1 29 248.394 4
Mid Mid (pH 6-8) 1.86 5.28 -42.16 2 3 1 33 248.394 4
Lo Low (pH 4.5-6) 1.86 6.93 -79.28 3 3 2 31 249.402 4

Activity (Go SEA)

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