UCSF

ZINC58407148

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 4.69 8.22 -16.39 2 4 0 62 328.368 4
Hi High (pH 8-9.5) 4.69 9.23 -61.73 1 4 -1 65 327.36 4

Activity (Go SEA)

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