UCSF

ZINC44677429

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.33 6.85 -33.37 2 2 1 20 231.363 4
Hi High (pH 8-9.5) 2.33 5.63 -1.98 1 2 0 15 230.355 4
Mid Mid (pH 6-8) 2.33 7.62 -29.79 2 2 1 16 231.363 4

Activity (Go SEA)

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