UCSF

ZINC05478615

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 22 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) 2.98 7.25 -20.43 1 6 0 77 315.354 5
Hi High (pH 8-9.5) 3.16 4.66 -49.11 0 6 -1 84 314.346 5

Activity (Go SEA)

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