UCSF

ZINC23071366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.01 2.86 -99.28 4 5 2 54 271.405 2
Hi High (pH 8-9.5) 0.01 0.55 -43.69 3 5 1 53 270.397 2
Mid Mid (pH 6-8) 0.01 2.52 -123.79 4 5 2 54 271.405 2

Activity (Go SEA)

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