UCSF

ZINC36226381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.54 5.27 -86.99 5 4 2 57 224.352 6
Hi High (pH 8-9.5) 1.54 2.79 -5.4 3 4 0 54 222.336 6
Mid Mid (pH 6-8) 1.54 4.93 -34.89 4 4 1 55 223.344 6

Activity (Go SEA)

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