UCSF

ZINC33751662

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 38 No

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) 6.15 16.27 -59.68 0 6 -1 79 512.626 13
Lo Low (pH 4.5-6) 6.15 14.97 -21.06 1 6 0 76 513.634 13

Activity (Go SEA)

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