UCSF

ZINC33765226

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 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) 4.96 11.31 -53.94 0 8 -1 91 535.661 13
Mid Mid (pH 6-8) 4.96 13.64 -73.27 1 8 0 93 536.669 13
Lo Low (pH 4.5-6) 4.96 12.35 -59.73 2 8 1 90 537.677 13

Activity (Go SEA)

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