UCSF

ZINC33671887

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 35 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) 5.18 14.7 -41.1 0 6 -1 87 468.529 8
Lo Low (pH 4.5-6) 5.18 13.57 -19 1 6 0 84 469.537 8

Activity (Go SEA)

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