UCSF

ZINC05329769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 25 Yes

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) 2.62 -2.07 -14.08 1 5 0 66 366.389 4
Hi High (pH 8-9.5) 2.62 -1.49 -49.2 0 5 -1 68 365.381 4

Activity (Go SEA)

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