UCSF

ZINC36189325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 3.92 13.18 -14.71 1 6 0 73 425.583 9
Hi High (pH 8-9.5) 4.11 11.76 -48.21 0 6 -1 79 424.575 9

Activity (Go SEA)

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