UCSF

ZINC33756937

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 4.15 10.4 -55.75 2 7 0 94 466.578 12
Hi High (pH 8-9.5) 4.15 8.11 -46.9 1 7 -1 93 465.57 12
Lo Low (pH 4.5-6) 4.15 9.26 -50.93 3 7 1 92 467.586 12

Activity (Go SEA)

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