UCSF

ZINC40173967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 23 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) 2.96 6.6 -49.95 5 4 1 73 328.823 4
Hi High (pH 8-9.5) 2.96 6.31 -8.13 4 4 0 71 327.815 4

Activity (Go SEA)

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