UCSF

ZINC08181128

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 27 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) 2.99 -4.32 -17.45 1 6 0 75 388.489 6
Hi High (pH 8-9.5) 2.99 -3.75 -52.77 0 6 -1 77 387.481 6

Activity (Go SEA)

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