UCSF

ZINC37986120

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 No

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) 1.93 4.16 -45.45 2 7 1 96 322.794 6
Hi High (pH 8-9.5) 1.93 4.23 -32.24 1 7 0 99 321.786 6
Hi High (pH 8-9.5) 1.93 1.73 -10.52 1 7 0 95 321.786 6

Activity (Go SEA)

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