UCSF

ZINC16130769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 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) 5.01 6.01 -8.89 1 3 0 46 469.98 3
Hi High (pH 8-9.5) 5.01 6.09 -37.7 0 3 -1 48 468.972 3

Activity (Go SEA)

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