UCSF

ZINC12584408

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 24 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) 3.85 4.4 -11.19 2 5 0 75 375.759 4
Hi High (pH 8-9.5) 3.85 4.48 -36.12 1 5 -1 77 374.751 4

Activity (Go SEA)

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