UCSF

ZINC02399657

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 22 No

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) 5.15 8.61 -6.12 1 4 0 50 352.246 2
Hi High (pH 8-9.5) 5.61 6.86 -37.93 0 4 -1 53 351.238 2

Activity (Go SEA)

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