UCSF

ZINC19992197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.60 7.02 -36.03 2 2 1 20 229.432 9
Hi High (pH 8-9.5) 3.60 7.5 -32.07 2 2 1 16 229.432 9
Mid Mid (pH 6-8) 3.60 9.13 -119.81 3 2 2 21 230.44 9

Activity (Go SEA)

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