UCSF

ZINC04981480

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 29 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) 4.62 8.02 -17.32 3 6 0 90 382.423 4
Mid Mid (pH 6-8) 4.62 9.74 -22.19 3 6 0 95 382.423 4
Lo Low (pH 4.5-6) 4.62 8.35 -45.56 4 6 1 92 383.431 4

Activity (Go SEA)

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