UCSF

ZINC33588448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 30 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) 3.41 11.98 -78.64 1 6 0 78 449.334 8
Lo Low (pH 4.5-6) 3.41 11.03 -54.12 2 6 1 75 450.342 8

Activity (Go SEA)

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