UCSF

ZINC36950478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 1.72 4.75 -96.88 4 3 2 41 230.396 5
Hi High (pH 8-9.5) 1.72 3.52 -29.44 3 3 1 37 229.388 5
Mid Mid (pH 6-8) 1.72 2.53 -37.39 3 3 1 40 229.388 5

Activity (Go SEA)

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