UCSF

ZINC05045351

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 23 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) 3.97 9.13 -13.64 1 4 0 63 322.389 5
Hi High (pH 8-9.5) 4.43 8.03 -51.21 0 4 -1 66 321.381 5

Activity (Go SEA)

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