UCSF

ZINC43978270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.18 5.23 -32.47 2 3 1 20 254.442 5
Hi High (pH 8-9.5) 2.18 6.34 -108.39 3 3 2 24 255.45 5
Mid Mid (pH 6-8) 2.18 6.36 -82.94 3 3 2 24 255.45 5

Activity (Go SEA)

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