UCSF

ZINC33769902

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 1.90 6.7 -51.39 0 8 -1 95 450.515 9
Mid Mid (pH 6-8) 1.90 9.03 -65.98 1 8 0 96 451.523 9
Lo Low (pH 4.5-6) 1.90 7.73 -58.68 2 8 1 93 452.531 9

Activity (Go SEA)

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