UCSF

ZINC15935425

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 35 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) 2.37 11.53 -17.94 3 10 0 139 478.505 12
Hi High (pH 8-9.5) 2.37 11.04 -43.08 2 10 -1 138 477.497 12

Activity (Go SEA)

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