UCSF

ZINC23070741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) 1.88 5.03 -100.75 4 3 2 35 241.423 2
Hi High (pH 8-9.5) 1.88 2.72 -39.89 3 3 1 34 240.415 2
Mid Mid (pH 6-8) 1.88 4.58 -123.7 4 3 2 35 241.423 2

Activity (Go SEA)

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