UCSF

ZINC43254153

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.60 1.27 -42.3 5 4 1 74 290.84 8
Hi High (pH 8-9.5) 1.60 0.91 -6.4 4 4 0 72 289.832 8
Hi High (pH 8-9.5) 1.60 3.18 -32.08 5 4 1 74 290.84 8

Activity (Go SEA)

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