UCSF

ZINC36984886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.77 7.1 -42.62 2 2 1 20 332.281 7
Hi High (pH 8-9.5) 3.77 5.74 -2.89 1 2 0 15 331.273 7
Mid Mid (pH 6-8) 3.77 9.13 -113.7 3 2 2 21 333.289 7
Mid Mid (pH 6-8) 3.77 7.79 -32.12 2 2 1 16 332.281 7

Activity (Go SEA)

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