UCSF

ZINC05184768

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 26 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) 4.04 -3.65 -13.8 2 5 0 75 366.442 5
Hi High (pH 8-9.5) 4.04 -3.07 -43.26 1 5 -1 77 365.434 5

Activity (Go SEA)

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